Python main Beispiele

Beispiel #1

Datei: align_1kx5_pdbs.py Projekt: stvn66/sassie_0_dna

def generate_psfgen_patches():
    '''
    generate the psfgen patches for the dimer dna chains
    '''
    import x_dna.build_mol.seg_pdb2psfgen as pdb2psfgen
    in_vars = inputs()

    in_vars.pdb = 'c11_folded_tails.pdb'
    in_vars.segnames = ['DNA1', 'DNA2']
    pdb2psfgen.main(in_vars)

Beispiel #2

Datei: align_1kx5_pdbs.py Projekt: qiuresearch/sassie_0_dna

def generate_psfgen_patches():
    '''
    generate the psfgen patches for the dimer dna chains
    '''
    import x_dna.build_mol.seg_pdb2psfgen as pdb2psfgen
    in_vars = inputs()

    in_vars.pdb = 'c11_folded_tails.pdb'
    in_vars.segnames = ['DNA1', 'DNA2']
    pdb2psfgen.main(in_vars)

Beispiel #3

Datei: align_1kx5_pdbs.py Projekt: stvn66/sassie_0_dna

def generate_psfgen_patches():
    '''
    generate the psfgen patches for the dimer dna chains
    '''
    import x_dna.build_mol.seg_pdb2psfgen as pdb2psfgen
    in_vars = inputs()
    in_vars.pdb = '../dna2_right.pdb'
    in_vars.segnames = ['dummy', 'DNA2']
    pdb2psfgen.main(in_vars)

    in_vars.pdb = '../dna1_right.pdb'
    in_vars.segnames = ['DNA1', 'dummy']
    pdb2psfgen.main(in_vars)

Beispiel #4

def generate_psfgen_patches():
    '''
    generate the psfgen patches for the dimer dna chains
    '''
    import x_dna.build_mol.seg_pdb2psfgen as pdb2psfgen
    in_vars = inputs()
    in_vars.pdb = '../dna2_right.pdb'
    in_vars.segnames = ['dummy', 'DNA2']
    pdb2psfgen.main(in_vars)

    in_vars.pdb = '../dna1_right.pdb'
    in_vars.segnames = ['DNA1', 'dummy']
    pdb2psfgen.main(in_vars)

Beispiel #5

Datei: generate_psfgen_patches.py Projekt: qiuresearch/sassie_0_dna

'''
generate the psfgen patches for the dimer dna chains
'''


class inputs():

    def __init__(self, parent=None):
        pass

import x_dna.build_mol.seg_pdb2psfgen as pdb2psfgen
in_vars = inputs()

in_vars.pdb = 'dna_pdb/w601dna.pdb'
in_vars.segnames = ['DNA1', 'DNA2']
pdb2psfgen.main(in_vars)