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套件:concavity(0.1+dfsg.1-5) [debports]

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predictor of protein ligand binding sites from structure and conservation

ConCavity predicts protein ligand binding sites by combining evolutionary sequence conservation and 3D structure.

ConCavity takes as input a PDB format protein structure and optionally files that characterize the evolutionary sequence conservation of the chains in the structure file.

The following result files are produced by default:

 * Residue ligand binding predictions for each chain (*.scores).
 * Residue ligand binding predictions in a PDB format file (residue
   scores placed in the temp. factor field, *_residue.pdb).
 * Pocket prediction locations in a DX format file (*.dx).
 * PyMOL script to visualize the predictions (*.pml).

其他與 concavity 有關的套件

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硬體架構 套件大小 安裝後大小 檔案
ppc64 (非官方移植版) 252。3 kB1,194。0 kB [檔案列表]