00001 import os.path
00002 from _ost_mol_alg import *
00003 from ost.mol.alg.superpose import *
00004 import ost.mol.alg.trajectory_analysis
00005 import ost.mol.alg.structure_analysis
00006 import ost.mol.alg.helix_kinks
00007 import ost.mol.alg.hbond
00008
00009
00010 def FillClashingDistancesFromFile(filename):
00011 fh=open(filename,'r')
00012 lines=fh.readlines()
00013 fh.close()
00014 return FillClashingDistances(lines)
00015
00016
00017 def FillBondStereoChemicalParamsFromFile(filename):
00018 fh=open(filename,'r')
00019 lines=fh.readlines()
00020 fh.close()
00021 return FillBondStereoChemicalParams("Bond",lines)
00022
00023
00024 def FillAngleStereoChemicalParamsFromFile(filename):
00025 fh=open(filename,'r')
00026 lines=fh.readlines()
00027 fh.close()
00028 return FillAngleStereoChemicalParams("Angle",lines)
00029
00030
00031 def DefaultClashingDistances():
00032 shared_path=ost.GetSharedDataPath()
00033 filename=os.path.join(shared_path,'stereo_chemical_props.txt')
00034 fh=open(filename,'r')
00035 lines=fh.readlines()
00036 fh.close()
00037 return FillClashingDistances(lines)
00038
00039
00040 def DefaultBondStereoChemicalParams():
00041 shared_path=ost.GetSharedDataPath()
00042 filename=os.path.join(shared_path,'stereo_chemical_props.txt')
00043 fh=open(filename,'r')
00044 lines=fh.readlines()
00045 fh.close()
00046 return FillStereoChemicalParams("Bond",lines)
00047
00048
00049 def DefaultAngleStereoChemicalParams():
00050 shared_path=ost.GetSharedDataPath()
00051 filename=os.path.join(shared_path,'stereo_chemical_props.txt')
00052 fh=open(filename,'r')
00053 lines=fh.readlines()
00054 fh.close()
00055 return FillStereoChemicalParams("Angle",lines)
00056