How to do dockings

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Revision as of 21:41, 25 May 2018 by Kevin (talk | contribs) (Looking at the results)
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Move selected directories

Make a namelist

head -25 sort | awk '{print $1}' | cut -d/ -f1-5 > tmp

Move the directories

for ii in $(cat tmp); do cp -r $ii res; done

Looking at the results

Make a namelist

find res -type d | tail -n +2 > namelist

Combine ligands and receptors

sh make_combine.sh

Now you will have a combined.pdb to look at.

Rendering

Here is a sample vmd visualization file for TBL1: render.vmd

The render command is

sh make_render_vmd.sh

You may use

sh make_render.sh

or just uncomment lines in make_combine.sh

Gather the pictures

sh cp_jpg.sh