Searched refs:toPDBrecord (Results 1 – 8 of 8) sorted by relevance
| /dports/science/nwchem-data/nwchem-7.0.2-release/contrib/marat/python/ |
| H A D | Residue.py | 37 def toPDBrecord(self,id_atom=1,id_res=1): member in Residue
42 output=output + a.toPDBrecord(i) +"\n"
64 print res0.toPDBrecord(id_atom=4)
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| H A D | ResAtom.py | 54 return self.toPDBrecord()
77 def toPDBrecord(self,id_atom=1,id_res=0): member in ResAtom
120 print b.toPDBrecord(id_atom=5,id_res=23)
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/contrib/marat/python/ |
| H A D | Residue.py | 37 def toPDBrecord(self,id_atom=1,id_res=1): member in Residue
42 output=output + a.toPDBrecord(i) +"\n"
64 print(res0.toPDBrecord(id_atom=4))
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| H A D | ResAtom.py | 54 return self.toPDBrecord()
77 def toPDBrecord(self,id_atom=1,id_res=0): member in ResAtom
120 print(b.toPDBrecord(id_atom=5,id_res=23))
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/contrib/marat/nwchem-python/ |
| H A D | generic_residue.py | 39 def toPDBrecord(self,resid,offset=None): member in GenericResidue
337 print(res0.toPDBrecord(1))
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| H A D | my_system.py | 97 fp.write(residue.toPDBrecord(resid=i))
108 fp.write(residue.toPDBrecord(resid=i,offset=offset))
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| /dports/science/nwchem-data/nwchem-7.0.2-release/contrib/marat/nwchem-python/ |
| H A D | generic_residue.py | 39 def toPDBrecord(self,resid,offset=None): member in GenericResidue
337 print res0.toPDBrecord(1)
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| H A D | my_system.py | 97 fp.write(residue.toPDBrecord(resid=i))
108 fp.write(residue.toPDBrecord(resid=i,offset=offset))
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