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Please cite this paper if you publish or present results using CASTp analysis: Tian et al., Nucleic Acids Res. 2018. PMID: 29860391 DOI: 10.1093/nar/gky473. The enhanced CASTpFold server with new features for the whole protein universe is online, check here: CASTpFold.
Please cite this paper if you publish or present results using CASTp analysis: Tian et al., Nucleic Acids Res. 46(W1): W363–W367, 2018. PMID: 29860391 DOI: 10.1093/nar/gky473 .
The enhanced CASTpFold server with new features for the whole protein universe is online, check here: CASTpFold. For questions and bugs, please contact uic.lianglab {at}gmail.com . Upload a molecular structure in standard PDB format. No multiple NMR structures please, and all nonpolar H atoms will be ignored.
The basic ingredients of Computational Geometry applied in CASTp are: Delaunay triangulation, alpha shape, and discrete flow (Edelsbrunner & Mucke 1994; Edelsbrunner 1995; Facello 1995; Edelsbrunner & Shah 1996; Edelsbrunner et al, 1998).
The CASTpyMOL plugin allows for the visualization of surfaces and voids identified from CASTp using PyMOL. We would like to thank Sebastien Moretti for suggesting the plugin and Andrew Binkowski and Joe Dundas for implementing and maintaining previous versions of CASTpyMOL.
You need to enable JavaScript to run this app. CASTp 3.0: Computed Atlas of Surface Topography of proteins
CASTp is based on theorectical and algorithmic results of Computational Geometry. It has many advantages: 1) pockets and cavities are identified analytically, 2) the boundary between the bulk solvent and the pocket is defined precisely, 3) all calculated parameters are rotationally invariant, and do not involve discretization and they make no ...
CASTp 3.0: Computed Atlas of Surface Topography of proteins. Your citation is really imortant for us. Please cite this paper if you publish or present results using CASTp analysis: Tian et al., Nucleic Acids Res. 46 (W1): W363–W367, 2018.
## PyMol plugin for the CASTp server (http://sts.bioe.uic.edu/castp) ## CASTpyMOL v3.0 ## (C) 2018 Wei Tian ## ## The plugin was suggested by Sebastien Moretti ...
How to use CASTp to study pockets and cavities of molecules. pocket, mouth. SA, SE; area vs volume; ranking, mouth. hetatm, mostfreq, probe
