def prepare_for_FoldX_BuildModel(self, mutant_name,
pdb_name_of_repaired_pdb):
path_to_runscript = './'
repaired_pdbs = 'RepairPDB_' + pdb_name_of_repaired_pdb + '.pdb'
show_sequence_detail = False
action = '<BuildModel>#,individual_list.txt'
print_networks = False
calculate_stability = False
GUM.build_runscript_for_pdbs(path_to_runscript, repaired_pdbs,
show_sequence_detail, action,
print_networks, calculate_stability)
individual_list_for_this_mutant_only = open('individual_list.txt', 'w')
individual_list_for_this_mutant_only.write(mutant_name + ';\n')
individual_list_for_this_mutant_only.close()
def prepare_for_FoldX_AnalyseComplex(self, repair_pdb_name):
_0_1_2_pdbs = ['0.pdb,', '1.pdb,', '2.pdb,']
repair_pdb_name_1_ = repair_pdb_name + '_1_'
wt_repair_pdb_name_1_ = 'WT_' + repair_pdb_name_1_
path_to_runscript = './'
pdbs_to_analyse = repair_pdb_name_1_ + _0_1_2_pdbs[0] + \
repair_pdb_name_1_ + _0_1_2_pdbs[1] + \
repair_pdb_name_1_ + _0_1_2_pdbs[2] + \
wt_repair_pdb_name_1_ + _0_1_2_pdbs[0] + \
wt_repair_pdb_name_1_ + _0_1_2_pdbs[1] + \
wt_repair_pdb_name_1_ + _0_1_2_pdbs[2]
show_sequence_detail = False
action = '<AnalyseComplex>#'
print_networks = False
calculate_stability = False
GUM.build_runscript_for_pdbs(path_to_runscript, pdbs_to_analyse,
show_sequence_detail, action,
print_networks, calculate_stability)