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I use chimera to get the receptor.sph file of the receptor pdb file, as follows:
chimera_in='''from chimera import runCommand, openModels, MSMSModel
runCommand("surf")
surf = openModels.list(modelTypes=[MSMSModel])[0]
surf = openModels.list(modelTypes=[MSMSModel])[0]
writeDMS(surf, "receptor.ms")'''
chimeradms = open('ms.py', 'w+'); chimeradms.write(chimera_in); chimeradms.close()
os.system('chimera --nogui receptor_tmp.mol2 ms.py')
sphgen_in='''receptor.ms
R
X
0.0
4.0
1.4
spheres.sph'''
sphgen = open('INSPH', 'w+'); sphgen.write(sphgen_in); sphgen.close()
os.system("sphgen")
Get the following error:
The temp3.atc file is shown below:
The text was updated successfully, but these errors were encountered:
I use chimera to get the receptor.sph file of the receptor pdb file, as follows:
chimera_in='''from chimera import runCommand, openModels, MSMSModel
runCommand("surf")
surf = openModels.list(modelTypes=[MSMSModel])[0]
surf = openModels.list(modelTypes=[MSMSModel])[0]
writeDMS(surf, "receptor.ms")'''
chimeradms = open('ms.py', 'w+'); chimeradms.write(chimera_in); chimeradms.close()
os.system('chimera --nogui receptor_tmp.mol2 ms.py')
sphgen_in='''receptor.ms
R
X
0.0
4.0
1.4
spheres.sph'''
sphgen = open('INSPH', 'w+'); sphgen.write(sphgen_in); sphgen.close()
os.system("sphgen")
Get the following error:
The temp3.atc file is shown below:
The text was updated successfully, but these errors were encountered: