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Searched refs:id_atom (Results 1 – 12 of 12) sorted by relevance

/dports/science/nwchem-data/nwchem-7.0.2-release/contrib/marat/python/
H A DResidue.py37 def toPDBrecord(self,id_atom=1,id_res=1): argument
39 i=id_atom-1
64 print res0.toPDBrecord(id_atom=4)
H A DResAtom.py77 def toPDBrecord(self,id_atom=1,id_res=0): argument
94 return pdbformat%('ATOM',str(id_atom),a1,self.name,a1,
120 print b.toPDBrecord(id_atom=5,id_res=23)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/contrib/marat/python/
H A DResidue.py37 def toPDBrecord(self,id_atom=1,id_res=1): argument
39 i=id_atom-1
64 print(res0.toPDBrecord(id_atom=4))
H A DResAtom.py77 def toPDBrecord(self,id_atom=1,id_res=0): argument
94 return pdbformat%('ATOM',str(id_atom),a1,self.name,a1,
120 print(b.toPDBrecord(id_atom=5,id_res=23))
/dports/science/py-pymol/pymol-open-source-2.4.0/test/inp/
H A DC1020querying.pml20 # id_atom,
142 id_atom none
143 id_atom all
144 id_atom 5/ca
/dports/science/py-pymol/pymol-open-source-2.4.0/modules/pymol/
H A Dapi.py148 id_atom, \
H A Drpc.py380 return cmd.id_atom(what,mode=mode)
H A Dkeywords.py123 'id_atom' : [ self_cmd.id_atom , 0 , 0 , '' , parsing.STRICT ],
H A Dquerying.py1237 def id_atom(selection,mode=0,quiet=1,_self=cmd): function
/dports/math/gretl/gretl-2021d/lib/src/
H A Dsystem.h48 typedef struct id_atom_ id_atom; typedef
H A Dsystem.c65 id_atom *atoms; /* pointer to RHS "atoms" */
/dports/science/rdkit/rdkit-Release_2021_03_5/External/pymol/modules/pymol/
H A Drpc.py536 return cmd.id_atom(what, mode=mode)