Coloring and Subcluster Matching: Difference between revisions
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mkdir -p ${workdir} | mkdir -p ${workdir} | ||
cd ${workdir} | cd ${workdir} | ||
cp /your receptor preparation folders/dockfiles . -r | |||
cp /your receptor preparation folders/INDOCK INDOCK_ori | |||
cp /your receptor preparation folders/xtal-lig.pdb . | |||
cp /your receptor preparation folders/working/rec.crg.pdb . | |||
For coloring your matching sphere, you must have | For coloring your matching sphere, you must have | ||
Revision as of 18:48, 31 March 2021
Written by Jiankun Lyu on March 31st, 2021.
1. Generate colored matching spheres
1.1 Create a directory and copy necessary files from your original receptor preparation folders
set workdir = /where you want to run your coloring and subcluster matching/
mkdir -p ${workdir}
cd ${workdir}
cp /your receptor preparation folders/dockfiles . -r
cp /your receptor preparation folders/INDOCK INDOCK_ori
cp /your receptor preparation folders/xtal-lig.pdb .
cp /your receptor preparation folders/working/rec.crg.pdb .
For coloring your matching sphere, you must have