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ForceBalance API
1.3
Automated optimization of force fields and empirical potentials
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ForceBalance API
1.3
Automated optimization of force fields and empirical potentials
|
Go to the source code of this file.
Classes | |
| class | src.Mol2.mol2_atom |
| This is to manage mol2 atomic lines on the form: 1 C1 5.4790 42.2880 49.5910 C.ar 1 <1> 0.0424. More... | |
| class | src.Mol2.mol2_bond |
| This is to manage mol2 bond lines on the form: 1 1 2 ar. More... | |
| class | src.Mol2.mol2 |
| This is to manage one mol2 series of lines on the form: More... | |
| class | src.Mol2.mol2_set |
Namespaces | |
| src.Mol2 | |
Variables | |
| src.Mol2.data = mol2_set(sys.argv[1], subset=["RNAse.xray.inh8.1QHC"]) | |
| src.Mol2.end | |
1.8.13