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UCSF Chimera
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UCSF Chimera : ウィキペディア英語版
UCSF Chimera

UCSF Chimera (or simply Chimera) is an extensible program for interactive visualization and analysis of molecular structures and related data, including density maps, supramolecular assemblies, sequence alignments, docking results, trajectories, and conformational ensembles. High-quality (images ) and (movies ) can be created. Chimera includes complete (documentation ) and can be (downloaded ) free of charge for noncommercial use.
Chimera is developed by the Resource for Biocomputing, Visualization, and Informatics (RBVI) at the University of California, San Francisco. Development is funded by the National Institutes of Health (NIGMS grant P41-GM103311). The next-generation program UCSF ChimeraX is under development but is not yet publicly released.
== General structure analysis ==

* automatic identification of atom types
* hydrogen addition and partial charge assignment
* high-quality hydrogen bond, contact, and clash detection
* measurements: distances, angles, surface area, volume
* calculation of centroids, axes, planes and associated measurements
* amino acid rotamer libraries, protein Ramachandran plot, protein contact map
* structure building and bond rotation
* molecular dynamics trajectory playback (many formats), distance and angle plots
* morphing between conformations of a protein or even different proteins
* display of attributes (B-factor, hydrophobicity, etc.) with colors, radii, "worms"
* easy creation of custom attributes with simple text file inputs
* ViewDock tool to facilitate interactive screening of docking results
* rich set of commands, powerful specification syntax
* many formats read, PDB and Mol2 written
* Web and fetch from Protein Data Bank, CATH or SCOP (domains), EDS (density maps), EMDB (density maps), ModBase (comparative models), CASTp (protein pocket measurements), Pub3D (small molecule structures), VIPERdb (icosahedral virus capsids), UniProt (protein sequences with feature annotations), others
* interfaces to PDB2PQR charge/radius assignment, APBS electrostatics calculations, AutoDock Vina single-ligand docking

抄文引用元・出典: フリー百科事典『 ウィキペディア(Wikipedia)
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