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Searched defs:new_bond (Results 1 – 7 of 7) sorted by relevance

/dports/science/py-pymol/pymol-open-source-2.4.0/examples/devel/
H A Dchempy_model01.py113 new_bond = Bond() variable
/dports/science/p5-PerlMol/PerlMol-0.3500/inc/BUNDLES/Chemistry-Mol-0.35/
H A DMol.pm229 sub new_bond { subroutine
/dports/science/p5-Chemistry-Mol/Chemistry-Mol-0.38/lib/Chemistry/
H A DMol.pm231 sub new_bond { subroutine
/dports/science/lammps/lammps-stable_29Sep2021/src/
H A Dforce.cpp360 Bond *Force::new_bond(const std::string &style, int trysuffix, int &sflag) in new_bond() function in Force
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/
H A Dforce.cpp360 Bond *Force::new_bond(const char *style, const char *suffix, int &sflag) in new_bond() function in Force
/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/
H A DtestSGroup.cpp515 auto new_bond = Bond(Bond::SINGLE); in testModifyMol() local
/dports/science/wxmacmolplt/wxmacmolplt-7.7-43-g9a46f7a/src/
H A DMolDisplayWin.cpp2307 Bond new_bond; in menuBuilderSaveStructure() local