[ ソース: python-pdbfixer ]
パッケージ: python3-pdbfixer (1.9-7)
python3-pdbfixer に関するリンク
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Fix problems in Protein Data Bank files (Python 3)
PDBFixer is an application for fixing problems in Protein Data Bank files in preparation for simulating them. It can automatically fix the following problems:
- Add missing heavy atoms. - Add missing hydrogen atoms. - Build missing loops. - Convert non-standard residues to their standard equivalents. - Select a single position for atoms with multiple alternate positions listed. - Delete unwanted chains from the model. - Delete unwanted heterogens. - Build a water box for explicit solvent simulations.
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