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Adds an optional pdbfixer directive to the molecules section of the YAML file through PDBFixer, a simple OpenMM-based protein structure processing tool. The following options are accessible through the pdbfixer directive. replace_nonstandard_residues: Replace nonstandard amino acids. remove_heterogens: Remove heterogens (such as ligands and waters). add_missing_residues: Add missing residues from the SEQRES block. add_missing_atoms: Add missing heavy atoms. apply_mutations: Specify protein mutations (e.g., T315I).
| selected citations These citations are derived from selected sources. This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | 0 | |
| popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network. | Average | |
| influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | Average | |
| impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network. | Average |
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