Example #1
0
def fetch_scop(code, name='', **kwargs):
    if name == '':
        name = code
    kwargs['async'] = 0
    r = fetch(code[1:5], name, **kwargs)
    if cmd.is_error(r):
        return r
    try:
        import Bio.SCOP
        import MySQLdb
        conn = MySQLdb.connect(**mysql_kwargs)
        scop = Bio.SCOP.Scop(db_handle=conn)
        d = scop.getDomainBySid(code)
        if len(d.residues.fragments) > 0:
            rsele = ''
            for frag in d.residues.fragments:
                chain, start, stop = frag
                rsele += ' (chain ' + chain
                if start and stop:
                    rsele += ' and resi %s-%s' % (start, stop)
                rsele += ')'
            cmd.remove(name + ' and not (' + rsele + ')')
    except:
        print(' Warning: SCOP domain resiude range handling failed')
        return -1
Example #2
0
def fetch_cath(code, name='', **kwargs):
    if name == '':
        name = code
    r = fetch(code[:4], name, async=0, **kwargs)
    if cmd.is_error(r):
        return r
    if code[5:7] == '00':
        if code[4] != '0':
            cmd.remove(name + ' and not chain ' + code[4])
    else:
        try:
            if len(cath_domains) == 0:
                cath_parse_domall()
            d = cath_domains[code]
            rsele = ''
            for frag in d:
                chain, start, stop = frag
                rsele += ' (chain ' + chain
                if start and stop:
                    rsele += ' and resi %s-%s' % (start, stop)
                rsele += ')'
            cmd.remove(name + ' and not (' + rsele + ')')
        except:
            print ' Warning: CATH domain resiude range handling failed'
            return -1
Example #3
0
def fetch_scop(code, name="", **kwargs):
    if name == "":
        name = code
    r = fetch(code[1:5], name, async=0, **kwargs)
    if cmd.is_error(r):
        return r
    try:
        import Bio.SCOP
        import MySQLdb

        conn = MySQLdb.connect(**mysql_kwargs)
        scop = Bio.SCOP.Scop(db_handle=conn)
        d = scop.getDomainBySid(code)
        if len(d.residues.fragments) > 0:
            rsele = ""
            for frag in d.residues.fragments:
                chain, start, stop = frag
                rsele += " (chain " + chain
                if start and stop:
                    rsele += " and resi %s-%s" % (start, stop)
                rsele += ")"
            cmd.remove(name + " and not (" + rsele + ")")
    except:
        print " Warning: SCOP domain resiude range handling failed"
        return -1
Example #4
0
def fetch_cath(code, name='', **kwargs):
    if name == '':
        name = code
    kwargs['async'] = 0
    r = fetch(code[:4], name, **kwargs)
    if cmd.is_error(r):
        return r
    if code[5:7] == '00':
        if code[4] != '0':
            cmd.remove(name + ' and not chain ' + code[4])
    else:
        try:
            if len(cath_domains) == 0:
                cath_parse_domall()
            d = cath_domains[code]
            rsele = ''
            for frag in d:
                chain, start, stop = frag
                rsele += ' (chain ' + chain
                if start and stop:
                    rsele += ' and resi %s-%s' % (start, stop)
                rsele += ')'
            cmd.remove(name + ' and not (' + rsele + ')')
        except:
            print(' Warning: CATH domain resiude range handling failed')
            return -1
Example #5
0
def fetch_cath(code, name="", **kwargs):
    if name == "":
        name = code
    r = fetch(code[:4], name, async=0, **kwargs)
    if cmd.is_error(r):
        return r
    if code[5:7] == "00":
        if code[4] != "0":
            cmd.remove(name + " and not chain " + code[4])
    else:
        try:
            if len(cath_domains) == 0:
                cath_parse_domall()
            d = cath_domains[code]
            rsele = ""
            for frag in d:
                chain, start, stop = frag
                rsele += " (chain " + chain
                if start and stop:
                    rsele += " and resi %s-%s" % (start, stop)
                rsele += ")"
            cmd.remove(name + " and not (" + rsele + ")")
        except:
            print " Warning: CATH domain resiude range handling failed"
            return -1
Example #6
0
def fetch_scop(code, name='', **kwargs):
    if name == '':
        name = code
    kwargs['async'] = 0
    r = fetch(code[1:5], name, **kwargs)
    if cmd.is_error(r):
        return r
    try:
        import Bio.SCOP
        import MySQLdb
        conn = MySQLdb.connect(**mysql_kwargs)
        scop = Bio.SCOP.Scop(db_handle=conn)
        d = scop.getDomainBySid(code)
        if len(d.residues.fragments) > 0:
            rsele = ''
            for frag in d.residues.fragments:
                chain, start, stop = frag
                rsele += ' (chain ' + chain
                if start and stop:
                    rsele += ' and resi %s-%s' % (start, stop)
                rsele += ')'
            cmd.remove(name + ' and not (' + rsele + ')')
    except:
        print(' Warning: SCOP domain resiude range handling failed')
        return -1
Example #7
0
def fetch_chain(code, name='', **kwargs):
    if name == '':
        name = code
    chain = code[4] if len(code) == 5 else code[5]
    r = fetch(code[:4], name, async=0, **kwargs)
    if cmd.is_error(r):
        return r
    cmd.remove(name + ' and not chain ' + chain)
Example #8
0
def fetch_chain(code, name='', **kwargs):
    if name == '':
        name = code
    chain = code[4] if len(code) == 5 else code[5]
    r = fetch(code[:4], name, async=0, **kwargs)
    if cmd.is_error(r):
        return r
    cmd.remove(name + ' and not chain ' + chain)
Example #9
0
def fetch_chain(code, name='', *, _self=cmd, **kwargs):
    if name == '':
        name = code
    chain = code[4] if len(code) == 5 else code[5]
    kwargs['async'] = 0
    r = fetch(code[:4], name, **kwargs)
    if cmd.is_error(r):
        return r
    _self.remove(name + ' and not chain ' + chain)
Example #10
0
def x(st):
    print st
    cmd.set("raise_exceptions", 0)
    valu = eval(st)
    print valu
    if cmd.is_error(valu):
        cmd.set("raise_exceptions", 1)
        try:
            print eval(st)
        except pymol.CmdException:
            print "CmdException raised."
        except cmd.QuietException:
            print "QuietException raised."
Example #11
0
def x(st):
   print st
   cmd.set("raise_exceptions",0)
   valu = eval(st)
   print valu
   if cmd.is_error(valu):
      cmd.set("raise_exceptions",1)
      try:
         print eval(st)
      except pymol.CmdException:
         print "CmdException raised."
      except cmd.QuietException:
         print "QuietException raised."