コード例 #1
0
ファイル: visual.py プロジェクト: ssmadha/Standalone-ProMol
def mesh_ribbon():
    cmd.hide('everything')
    glb.update()
    cmd.map_new('map', "gaussian", "0.75", 'all')
    glb.procolor(None,show_all=('lines','ribbon'),color_all='red')
    cmd.isomesh('map1', 'map', '1')
    cmd.color('purple','map1')
コード例 #2
0
ファイル: visual.py プロジェクト: SBEVSL/promol
def mesh_ribbon():
    cmd.hide('everything')
    glb.update()
    cmd.map_new('map', "gaussian", "0.75", 'all')
    glb.procolor(None, show_all=('lines', 'ribbon'), color_all='red')
    cmd.isomesh('map1', 'map', '1')
    cmd.color('purple', 'map1')
コード例 #3
0
ファイル: visual.py プロジェクト: ssmadha/Standalone-ProMol
def chain_contact():
    def chain_contact_loop(c,skip,chainPullList):
        d = 0
        l = c + 1
        while len(chainPullList) > l and (26-d) >= 0:
            cmd.select('chain_contact','%s w. 5 of %s'%(chainPullList[d],chainPullList[c+1]),enable=0,quiet=1,merge=1)
            cmd.select('chain_contact','%s w. 5 of %s'%(chainPullList[c+1],chainPullList[d]),enable=0,quiet=1,merge=1)
            d += 1
            l += 1
            while d == (c+1) or d in skip:
                d += 1
    glb.update()
    cmd.hide('everything')
    cmd.show('mesh', 'all')
    cmd.color('gray40', 'all')
    objects = cmd.get_names('all')
    chainPullList = []
    for i in cmd.get_chains(quiet=1):
        chainPullList.append('Chain-'+i)
    if len(chainPullList) < 2:
        showinfo('Notice','There needs to be two or more chains to run this functions.')
        return False
    c = 0
    skip = []
    while c < (len(chainPullList)-1) and c < 26:
        skip.append(c+1)
        chain_contact_loop(c,skip,chainPullList)
        c += 1
    glb.procolor('chain_contact','mesh','cpk',None)
    cmd.delete('chain_contact')
    return chainPullList
コード例 #4
0
ファイル: visual.py プロジェクト: SBEVSL/promol
def color_sel(tag):
    if tag == 'Red':
        cmd.color('red', glb.SELE)
    elif tag == 'Green':
        cmd.color('green', glb.SELE)
    elif tag == 'Orange':
        cmd.color('orange', glb.SELE)
    elif tag == 'Yellow':
        cmd.color('yellow', glb.SELE)
    elif tag == 'Blue':
        cmd.color('blue', glb.SELE)
    elif tag == 'Violet':
        cmd.color('violet', glb.SELE)
    elif tag == 'CPK':
        glb.procolor(selection=glb.SELE,
                     show_selection='sticks',
                     color_selection='cpk',
                     show_all=None)
    elif tag == 'Other':
        color = askcolor(title="Selection Color Chooser")
        clr = str(color[1])
        newcolor = 'newcolor%s' % glb.incnewcolor()
        if clr != None:
            cmd.set_color(
                newcolor,
                ([int(n, 16) for n in (clr[1:3], clr[3:5], clr[5:7])]))
            cmd.color(newcolor, glb.SELE)
コード例 #5
0
ファイル: visual.py プロジェクト: ssmadha/Standalone-ProMol
def surfinglines():
    cmd.hide('everything')
    glb.update()
    cmd.map_new('map', "gaussian", "0.75", 'all')
    glb.procolor(None,show_all='lines')
    cmd.isosurface('map1', 'map', '1')
    cmd.color('orange', "map1")
    cmd.set('transparency', '0.4')
    cmd.set('ambient', '0.45')
コード例 #6
0
ファイル: visual.py プロジェクト: SBEVSL/promol
def surfinglines():
    cmd.hide('everything')
    glb.update()
    cmd.map_new('map', "gaussian", "0.75", 'all')
    glb.procolor(None, show_all='lines')
    cmd.isosurface('map1', 'map', '1')
    cmd.color('orange', "map1")
    cmd.set('transparency', '0.4')
    cmd.set('ambient', '0.45')
コード例 #7
0
ファイル: visual.py プロジェクト: ssmadha/Standalone-ProMol
def premisc(tag):
    if tag == 'Hetero Atoms':
        show_hetero()
    elif tag == 'Chain Contacts':
        chain_contact()
    elif tag == 'DNA & RNA':
        show_dna_rna()
    elif tag == 'CPK':
        glb.procolor()
    elif tag == 'Ball & Stick':
        ball_and_stick()
コード例 #8
0
ファイル: visual.py プロジェクト: SBEVSL/promol
def premisc(tag):
    if tag == 'Hetero Atoms':
        show_hetero()
    elif tag == 'Chain Contacts':
        chain_contact()
    elif tag == 'DNA & RNA':
        show_dna_rna()
    elif tag == 'CPK':
        glb.procolor()
    elif tag == 'Ball & Stick':
        ball_and_stick()
コード例 #9
0
ファイル: visual.py プロジェクト: SBEVSL/promol
def view_polarity():
    glb.update()
    objects = cmd.get_names('all')
    if 'protein' in objects:
        cmd.show('surface', 'protein')
    cmd.color('red', 'resn ALA+ILE+LEU+MET+PHE+PRO+TRP+VAL')
    cmd.color('blue', 'resn THR+SER+ARG+ASN+ASP+GLN+GLU+HIS+LYS')
    cmd.show('spheres', 'het')
    cmd.color('green', 'het')
    cmd.set('cartoon_ring_mode', '1')
    if 'dna' in objects:
        cmd.show('cartoon', 'resn %s' % (glb.DNASTR))
        glb.procolor(glb.DNASTR, 'cartoon', 'cpk', None)
    showinfo('Info', 'Red = Hydrophobic\nBlue = Hydrophilic')
コード例 #10
0
ファイル: visual.py プロジェクト: ssmadha/Standalone-ProMol
def view_polarity():
    glb.update()
    objects = cmd.get_names('all')
    if 'protein' in objects:
        cmd.show('surface', 'protein')
    cmd.color('red', 'resn ALA+ILE+LEU+MET+PHE+PRO+TRP+VAL')
    cmd.color('blue', 'resn THR+SER+ARG+ASN+ASP+GLN+GLU+HIS+LYS')
    cmd.show('spheres', 'het')
    cmd.color('green', 'het')
    cmd.set('cartoon_ring_mode' , '1')
    if 'dna' in objects:
        cmd.show('cartoon', 'resn %s'%(glb.DNASTR))
        glb.procolor(glb.DNASTR,'cartoon','cpk',None)
    showinfo('Info', 'Red = Hydrophobic\nBlue = Hydrophilic')
コード例 #11
0
ファイル: visual.py プロジェクト: SBEVSL/promol
def chain_contact():
    def chain_contact_loop(c, skip, chainPullList):
        d = 0
        l = c + 1
        while len(chainPullList) > l and (26 - d) >= 0:
            cmd.select('chain_contact',
                       '%s w. 5 of %s' %
                       (chainPullList[d], chainPullList[c + 1]),
                       enable=0,
                       quiet=1,
                       merge=1)
            cmd.select('chain_contact',
                       '%s w. 5 of %s' %
                       (chainPullList[c + 1], chainPullList[d]),
                       enable=0,
                       quiet=1,
                       merge=1)
            d += 1
            l += 1
            while d == (c + 1) or d in skip:
                d += 1

    glb.update()
    cmd.hide('everything')
    cmd.show('mesh', 'all')
    cmd.color('gray40', 'all')
    objects = cmd.get_names('all')
    chainPullList = []
    for i in cmd.get_chains(quiet=1):
        chainPullList.append('Chain-' + i)
    if len(chainPullList) < 2:
        showinfo(
            'Notice',
            'There needs to be two or more chains to run this functions.')
        return False
    c = 0
    skip = []
    while c < (len(chainPullList) - 1) and c < 26:
        skip.append(c + 1)
        chain_contact_loop(c, skip, chainPullList)
        c += 1
    glb.procolor('chain_contact', 'mesh', 'cpk', None)
    cmd.delete('chain_contact')
    return chainPullList
コード例 #12
0
ファイル: visual.py プロジェクト: ssmadha/Standalone-ProMol
def color_sel(tag):
    if tag == 'Red':
        cmd.color('red', glb.SELE)
    elif tag == 'Green':
        cmd.color('green', glb.SELE)
    elif tag == 'Orange':
        cmd.color('orange', glb.SELE)
    elif tag == 'Yellow':
        cmd.color('yellow', glb.SELE)
    elif tag == 'Blue':
        cmd.color('blue', glb.SELE)
    elif tag == 'Violet':
        cmd.color('violet', glb.SELE)
    elif tag == 'CPK':
        glb.procolor(selection=glb.SELE, show_selection='sticks',
            color_selection='cpk', show_all=None)
    elif tag == 'Other':
        color = askcolor(title = "Selection Color Chooser")
        clr = str(color[1])
        newcolor = 'newcolor%s' % glb.incnewcolor()
        if clr != None:
            cmd.set_color(newcolor,
                ([int(n, 16) for n in (clr[1:3], clr[3:5], clr[5:7])]))
            cmd.color(newcolor, glb.SELE)
コード例 #13
0
ファイル: visual.py プロジェクト: SBEVSL/promol
def show_hetero():
    glb.update()
    objects = cmd.get_names('all')
    if 'ligands' in objects:
        if 'protein' in objects:
            cmd.show('cartoon', 'protein')
            cmd.set('cartoon_transparency', '0.7', 'protein')
        if 'dna' in objects:
            glb.procolor('dna', 'sticks', 'cpk', None)
        if 'rna' in objects:
            glb.procolor('rna', 'sticks', 'cpk', None)
        glb.procolor('ligands around 6', 'sticks', 'cpk', 'cartoon')
        glb.procolor('ligands', 'spheres', 'orange', None)
        cmd.set('sphere_transparency', '0.1', 'ligands')
        cmd.set('stick_radius', '0.3', 'ligands around 6')
        cmd.set('stick_transparency', '0.1', 'ligands around 6')
    else:
        showinfo("Error", "There are no hetero atoms in this molecule.")
コード例 #14
0
ファイル: visual.py プロジェクト: ssmadha/Standalone-ProMol
def show_hetero():
    glb.update()
    objects = cmd.get_names('all')
    if 'ligands' in objects:
        if 'protein' in objects:
            cmd.show('cartoon', 'protein')
            cmd.set('cartoon_transparency', '0.7', 'protein')
        if 'dna' in objects:
            glb.procolor('dna','sticks','cpk',None)
        if 'rna' in objects:
            glb.procolor('rna','sticks','cpk',None)
        glb.procolor('ligands around 6','sticks','cpk','cartoon')
        glb.procolor('ligands','spheres','orange',None)
        cmd.set('sphere_transparency', '0.1', 'ligands')
        cmd.set('stick_radius', '0.3', 'ligands around 6')
        cmd.set('stick_transparency', '0.1', 'ligands around 6')
    else:
        showinfo("Error", "There are no hetero atoms in this molecule.")
コード例 #15
0
ファイル: visual.py プロジェクト: ssmadha/Standalone-ProMol
def cartoon_view(cartoon=None):
    glb.update()
    cmd.hide('all')
    objects = cmd.get_names('all')
    if 'protein' in objects:
        cmd.show('cartoon', 'protein')
    cmd.color("red", "ss h")
    cmd.color("yellow", "ss s")
    cmd.color("cyan", "ss l+\'\'")
    if 'ligands' in objects:
        glb.procolor('ligands','spheres','orange',None)
    if 'dna' in objects:
        glb.procolor('dna','sticks','cpk',None)
    if 'rna' in objects:
        glb.procolor('rna','sticks','cpk',None)
    if cartoon == 'putty':
        try:
            cmd.cartoon('putty', 'protein')
        except:
            showinfo('Error', 'Putty is not supported by this version of PyMol')
    else:
        cmd.set('cartoon_ring_mode' , '1')
コード例 #16
0
ファイル: visual.py プロジェクト: SBEVSL/promol
def cartoon_view(cartoon=None):
    glb.update()
    cmd.hide('all')
    objects = cmd.get_names('all')
    if 'protein' in objects:
        cmd.show('cartoon', 'protein')
    cmd.color("red", "ss h")
    cmd.color("yellow", "ss s")
    cmd.color("cyan", "ss l+\'\'")
    if 'ligands' in objects:
        glb.procolor('ligands', 'spheres', 'orange', None)
    if 'dna' in objects:
        glb.procolor('dna', 'sticks', 'cpk', None)
    if 'rna' in objects:
        glb.procolor('rna', 'sticks', 'cpk', None)
    if cartoon == 'putty':
        try:
            cmd.cartoon('putty', 'protein')
        except:
            showinfo('Error',
                     'Putty is not supported by this version of PyMol')
    else:
        cmd.set('cartoon_ring_mode', '1')
コード例 #17
0
def growProtein():
    cmd.mstop()
    cmd.mclear()
    cmd.mset()
    
    glb.update()
    
    objects = cmd.get_names('all')
    
    if 'protein' in objects:
        
        cmd.bg_color('black')
        
        # create the objects to be used in this movie
        cmd.create('helix', 'ss h and protein')
        cmd.create('sheets', 'ss s and protein')
        cmd.create('surface', objects[0])
        
        cmd.mset('1', '1400')
        
        # dna and rna will be represented as sticks
        # to make them stand out from the protein
        if 'dna' in objects:
            glb.procolor('dna','sticks','cpk',None)
        
        if 'rna' in objects:
            glb.procolor('rna','sticks','cpk',None)
        
        # coloring the protein and secondary structures
        cmd.color('white', 'protein')
        cmd.color('purple', 'helix')
        cmd.color('teal', 'sheets')
        
        cmd.cartoon('loop', 'protein')
        cmd.cartoon('automatic', 'helix')
        cmd.cartoon('automatic', 'sheets')
        cmd.hide('all')
        cmd.show('cartoon', 'protein')
        
        #cmd.mdo(1,'hide cartoon, helix; hide cartoon, sheets;')
        cmd.util.mrock('2', '200', '90', '1', '1')
        cmd.mdo(201,'show cartoon, helix;')
        cmd.util.mrock('202', '400', '90', '1', '1')
        cmd.mdo(401,'show cartoon, sheets;')
        cmd.util.mrock('402', '600', '90', '1', '1')
        if 'ligands' in objects:
            cmd.color('hotpink', 'ligands')
            cmd.mdo(600, 'show spheres, ligands; show sticks, ligands;'+
                ' set sphere_transparency = 0.5, ligands;')
        cmd.util.mroll('601', '800', '1', axis = "x")
        cmd.color('blue', 'surface')
        cmd.mview('store', '800')
        cmd.turn('z', 180)
        cmd.mview('store' , '1000')
        cmd.turn('z', 180)
        cmd.mdo(800, 'show surface, surface; '+
            'set transparency = 0.8, surface;')
        cmd.mdo(850,'set transparency = 0.7, surface;')
        cmd.mdo(900,'set transparency = 0.6, surface;')
        cmd.mdo(950,'set transparency = 0.5, surface;')
        cmd.mdo(1000,'set transparency = 0.4, surface;')
        cmd.mdo(1050,'set transparency = 0.3, surface;')
        cmd.mdo(1100,'set transparency = 0.2, surface;')
        cmd.mdo(1150,'set transparency = 0.1, surface;')
        cmd.mdo(1200,'set transparency = 0.0, surface;')
        cmd.mview('store', '1200')
        cmd.util.mrock('1201', '1399', '180', '1', '1')
        cmd.hide('everything', 'surface')
        cmd.hide('everything', 'helix')
        cmd.hide('everything', 'sheets')
        cmd.reset()
        cmd.orient()
        cmd.mdo(1400,'hide everything, all; show cartoon, protein;')
        cmd.mdo(1400,'mstop')
        cmd.mview('interpolate')
        cmd.rewind()
コード例 #18
0
def surface_stick():
    '''surface over stick movie'''
    glb.update()
    cmd.mstop()
    cmd.mclear()
    cmd.mset()
    cmd.mset('1', '60')
    glb.procolor(None,show_all=('sticks','surface'))
    cmd.mdo(1,'set transparency = 0.75, all;')
    cmd.mdo(2,'set transparency = 0.7, all;')
    cmd.mdo(3,'set transparency = 0.65, all;')
    cmd.mdo(4,'set transparency = 0.6, all;')
    cmd.mdo(5,'set transparency = 0.55, all;')
    cmd.mdo(6,'set transparency = 0.5, all;')
    cmd.mdo(7,'set transparency = 0.45, all;')
    cmd.mdo(8,'set transparency = 0.4, all;')
    cmd.mdo(9,'set transparency = 0.35, all;')
    cmd.mdo(10,'set transparency = 0.3, all;')
    cmd.mdo(11,'set transparency = 0.25, all;')
    cmd.mdo(12,'set transparency = 0.2, all;')
    cmd.mdo(13,'set transparency = 0.15, all;')
    cmd.mdo(14,'set transparency = 0.1, all;')
    cmd.mdo(15,'set transparency = 0.05, all;')
    cmd.mdo(16,'set transparency = 0, all;')
    cmd.mdo(17,'set transparency = 0, all;')
    cmd.mdo(19,'set transparency = 0, all;')
    cmd.mdo(20,'set transparency = 0, all;')
    cmd.mdo(21,'set transparency = 0, all;')
    cmd.mdo(22,'set transparency = 0, all;')
    cmd.mdo(23,'set transparency = 0, all;')
    cmd.mdo(24,'set transparency = 0, all;')
    cmd.mdo(25,'set transparency = 0, all;')
    cmd.mdo(26,'set transparency = 0, all;')
    cmd.mdo(27,'set transparency = 0, all;')
    cmd.mdo(28,'set transparency = 0, all;')
    cmd.mdo(29,'set transparency = 0.05, all;')
    cmd.mdo(30,'set transparency = 0.1, all;')
    cmd.mdo(31,'set transparency = 0.15, all;')
    cmd.mdo(32,'set transparency = 0.2, all;')
    cmd.mdo(33,'set transparency = 0.25, all;')
    cmd.mdo(34,'set transparency = 0.3, all;')
    cmd.mdo(35,'set transparency = 0.35, all;')
    cmd.mdo(36,'set transparency = 0.4, all;')
    cmd.mdo(37,'set transparency = 0.45, all;')
    cmd.mdo(38,'set transparency = 0.5, all;')
    cmd.mdo(39,'set transparency = 0.55, all;')
    cmd.mdo(40,'set transparency = 0.6, all;')
    cmd.mdo(41,'set transparency = 0.65, all;')
    cmd.mdo(42,'set transparency = 0.7, all;')
    cmd.mdo(43,'set transparency = 0.75, all;')
    cmd.mdo(44,'set transparency = 0.8, all;')
    cmd.mdo(45,'set transparency = 0.85, all;')
    cmd.mdo(46,'set transparency = 0.9, all;')
    cmd.mdo(47,'set transparency = 0.9, all;')
    cmd.mdo(48,'set transparency = 0.9, all;')
    cmd.mdo(49,'set transparency = 0.85, all;')
    cmd.mdo(50,'set transparency = 0.85, all;')
    cmd.mdo(51,'set transparency = 0.85, all;')
    cmd.mdo(52,'set transparency = 0.85, all;')
    cmd.mdo(53,'set transparency = 0.85, all;')
    cmd.mdo(54,'set transparency = 0.85, all;')
    cmd.mdo(55,'set transparency = 0.85, all;')
    cmd.mdo(56,'set transparency = 0.85, all;')
    cmd.mdo(57,'set transparency = 0.85, all;')
    cmd.mdo(58,'set transparency = 0.85, all;')
    cmd.mdo(59,'set transparency = 0.85, all;')
    cmd.mdo(60,'set transparency = 0.8, all;')
コード例 #19
0
def Ligand_Pull():
    glb.update()
    cmd.mstop()
    cmd.mclear()
    cmd.mset('1', '442')
    cmd.hide('everything')
    cmd.remove('resn HOH')
    cmd.color('green', 'all')
    objects = cmd.get_names('all')
    if 'ligands' in objects:
        cmd.set('stick_radius', '0.3')
        glb.procolor('ligands around 6','sticks','cpk','cartoon')
        glb.procolor('ligands','spheres','orange',None)
        cmd.set("cartoon_fancy_helices", "1")
        cmd.set("cartoon_fancy_sheets", "1")
        cmd.set('cartoon_transparency', '0.5')
        cmd.zoom()
        cmd.orient()
        cmd.mdo(1,'orient')
        cmd.mdo(2,'translate [2,0,0],ligands;')
        cmd.mdo(3,'translate [2,0,0],ligands;')
        cmd.mdo(4,'translate [2,0,0],ligands;')
        cmd.mdo(5,'translate [2,0,0],ligands;')
        cmd.mdo(6,'translate [2,0,0],ligands;')
        cmd.mdo(7,'translate [2,0,0],ligands;')
        cmd.mdo(8,'translate [2,0,0],ligands;')
        cmd.mdo(9,'translate [2,0,0],ligands;')
        cmd.mdo(10,'translate [2,0,0],ligands;')
        cmd.mdo(11,'translate [2,0,0],ligands;')
        cmd.mdo(12,'translate [2,0,0],ligands;')
        cmd.mdo(13,'translate [2,0,0],ligands;')
        cmd.mdo(14,'translate [2,0,0],ligands;')
        cmd.mdo(15,'translate [2,0,0],ligands;')
        cmd.mdo(16,'translate [2,0,0],ligands;')
        cmd.mdo(17,'translate [2,0,0],ligands;')
        cmd.mdo(18,'translate [2,0,0],ligands;')
        cmd.mdo(19,'translate [2,0,0],ligands;')
        cmd.mdo(20,'translate [2,0,0],ligands;')
        cmd.mdo(21,'translate [2,0,0],ligands;')
        cmd.mdo(22,'translate [2,0,0],ligands;')
        cmd.mdo(23,'translate [2,0,0],ligands;')
        cmd.mdo(24,'translate [2,0,0],ligands;')
        cmd.mdo(25,'translate [2,0,0],ligands;')
        cmd.mdo(26,'translate [2,0,0],ligands;')
        cmd.mdo(27,'translate [2,0,0],ligands;')
        cmd.mdo(28,'translate [2,0,0],ligands;')
        cmd.mdo(29,'translate [2,0,0],ligands;')
        cmd.mdo(30,'translate [2,0,0],ligands;')
        cmd.mdo(31,'translate [2,0,0],ligands;')
        cmd.mdo(32,'translate [2,0,0],ligands;')
        cmd.mdo(33,'translate [2,0,0],ligands;')
        cmd.mdo(34,'translate [2,0,0],ligands;')
        cmd.mdo(35,'translate [2,0,0],ligands;')
        cmd.mdo(36,'translate [2,0,0],ligands;')
        cmd.mdo(37,'translate [2,0,0],ligands;')
        cmd.mdo(38,'translate [2,0,0],ligands;')
        cmd.mdo(39,'translate [2,0,0],ligands;')
        cmd.mdo(40,'translate [2,0,0],ligands;')
        cmd.mdo(41,'translate [2,0,0],ligands;')
        cmd.mdo(42,'orient')
        cmd.util.mroll('42','222','1')
        cmd.mdo(223,'translate [-2,0,0],ligands;')
        cmd.mdo(224,'translate [-2,0,0],ligands;')
        cmd.mdo(225,'translate [-2,0,0],ligands;')
        cmd.mdo(226,'translate [-2,0,0],ligands;')
        cmd.mdo(227,'translate [-2,0,0],ligands;')
        cmd.mdo(228,'translate [-2,0,0],ligands;')
        cmd.mdo(229,'translate [-2,0,0],ligands;')
        cmd.mdo(230,'translate [-2,0,0],ligands;')
        cmd.mdo(231,'translate [-2,0,0],ligands;')
        cmd.mdo(232,'translate [-2,0,0],ligands;')
        cmd.mdo(233,'translate [-2,0,0],ligands;')
        cmd.mdo(234,'translate [-2,0,0],ligands;')
        cmd.mdo(235,'translate [-2,0,0],ligands;')
        cmd.mdo(236,'translate [-2,0,0],ligands;')
        cmd.mdo(237,'translate [-2,0,0],ligands;')
        cmd.mdo(238,'translate [-2,0,0],ligands;')
        cmd.mdo(239,'translate [-2,0,0],ligands;')
        cmd.mdo(240,'translate [-2,0,0],ligands;')
        cmd.mdo(241,'translate [-2,0,0],ligands;')
        cmd.mdo(242,'translate [-2,0,0],ligands;')
        cmd.mdo(243,'translate [-2,0,0],ligands;')
        cmd.mdo(244,'translate [-2,0,0],ligands;')
        cmd.mdo(245,'translate [-2,0,0],ligands;')
        cmd.mdo(246,'translate [-2,0,0],ligands;')
        cmd.mdo(247,'translate [-2,0,0],ligands;')
        cmd.mdo(248,'translate [-2,0,0],ligands;')
        cmd.mdo(249,'translate [-2,0,0],ligands;')
        cmd.mdo(250,'translate [-2,0,0],ligands;')
        cmd.mdo(251,'translate [-2,0,0],ligands;')
        cmd.mdo(252,'translate [-2,0,0],ligands;')
        cmd.mdo(253,'translate [-2,0,0],ligands;')
        cmd.mdo(254,'translate [-2,0,0],ligands;')
        cmd.mdo(255,'translate [-2,0,0],ligands;')
        cmd.mdo(256,'translate [-2,0,0],ligands;')
        cmd.mdo(257,'translate [-2,0,0],ligands;')
        cmd.mdo(258,'translate [-2,0,0],ligands;')
        cmd.mdo(259,'translate [-2,0,0],ligands;')
        cmd.mdo(260,'translate [-2,0,0],ligands;')
        cmd.mdo(261,'translate [-2,0,0],ligands;')
        cmd.mdo(262,'translate [-2,0,0],ligands;')
        cmd.mdo(263,'orient')
        cmd.util.mroll('264','442','1')
    else:
        showinfo('No ligands','There are no ligands in this PDB.')
コード例 #20
0
def surface_cartoon():
    glb.update()
    cmd.mstop()
    cmd.mclear()
    cmd.mset('1', '60')
    cmd.hide('everything')
    objects = cmd.get_names('all')
    glb.procolor(None,show_all=('cartoon','surface'))
    cmd.set("cartoon_fancy_helices", "1")
    cmd.set("cartoon_fancy_sheets", "1")
    cmd.mdo(1,'set transparency = 0.75, all;')
    cmd.mdo(2,'set transparency = 0.7, all;')
    cmd.mdo(3,'set transparency = 0.65, all;')
    cmd.mdo(4,'set transparency = 0.6, all;')
    cmd.mdo(5,'set transparency = 0.55, all;')
    cmd.mdo(6,'set transparency = 0.5, all;')
    cmd.mdo(7,'set transparency = 0.45, all;')
    cmd.mdo(8,'set transparency = 0.4, all;')
    cmd.mdo(9,'set transparency = 0.35, all;')
    cmd.mdo(10,'set transparency = 0.3, all;')
    cmd.mdo(11,'set transparency = 0.25, all;')
    cmd.mdo(12,'set transparency = 0.2, all;')
    cmd.mdo(13,'set transparency = 0.15, all;')
    cmd.mdo(14,'set transparency = 0.1, all;')
    cmd.mdo(15,'set transparency = 0.05, all;')
    cmd.mdo(16,'set transparency = 0, all;')
    cmd.mdo(17,'set transparency = 0, all;')
    cmd.mdo(19,'set transparency = 0, all;')
    cmd.mdo(20,'set transparency = 0, all;')
    cmd.mdo(21,'set transparency = 0, all;')
    cmd.mdo(22,'set transparency = 0, all;')
    cmd.mdo(23,'set transparency = 0, all;')
    cmd.mdo(24,'set transparency = 0, all;')
    cmd.mdo(25,'set transparency = 0, all;')
    cmd.mdo(26,'set transparency = 0, all;')
    cmd.mdo(27,'set transparency = 0, all;')
    cmd.mdo(28,'set transparency = 0, all;')
    cmd.mdo(29,'set transparency = 0.05, all;')
    cmd.mdo(30,'set transparency = 0.1, all;')
    cmd.mdo(31,'set transparency = 0.15, all;')
    cmd.mdo(32,'set transparency = 0.2, all;')
    cmd.mdo(33,'set transparency = 0.25, all;')
    cmd.mdo(34,'set transparency = 0.3, all;')
    cmd.mdo(35,'set transparency = 0.35, all;')
    cmd.mdo(36,'set transparency = 0.4, all;')
    cmd.mdo(37,'set transparency = 0.45, all;')
    cmd.mdo(38,'set transparency = 0.5, all;')
    cmd.mdo(39,'set transparency = 0.55, all;')
    cmd.mdo(40,'set transparency = 0.6, all;')
    cmd.mdo(41,'set transparency = 0.65, all;')
    cmd.mdo(42,'set transparency = 0.7, all;')
    cmd.mdo(43,'set transparency = 0.75, all;')
    cmd.mdo(44,'set transparency = 0.8, all;')
    cmd.mdo(45,'set transparency = 0.85, all;')
    cmd.mdo(46,'set transparency = 0.9, all;')
    cmd.mdo(47,'set transparency = 0.9, all;')
    cmd.mdo(48,'set transparency = 0.9, all;')
    cmd.mdo(49,'set transparency = 0.85, all;')
    cmd.mdo(50,'set transparency = 0.85, all;')
    cmd.mdo(51,'set transparency = 0.85, all;')
    cmd.mdo(52,'set transparency = 0.85, all;')
    cmd.mdo(53,'set transparency = 0.85, all;')
    cmd.mdo(54,'set transparency = 0.85, all;')
    cmd.mdo(55,'set transparency = 0.85, all;')
    cmd.mdo(56,'set transparency = 0.85, all;')
    cmd.mdo(57,'set transparency = 0.85, all;')
    cmd.mdo(58,'set transparency = 0.85, all;')
    cmd.mdo(59,'set transparency = 0.85, all;')
    cmd.mdo(60,'set transparency = 0.8, all;')