Difference between revisions of "2022 Denovo tutorial 3 with PDBID 1X70"
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[[File:1X70_sidechains.png|thumb|center|800px|All of the sidechains from fraglib_linker.mol2, fragments with 1 non-Hydrogen rotatable bonds in 715]] | [[File:1X70_sidechains.png|thumb|center|800px|All of the sidechains from fraglib_linker.mol2, fragments with 1 non-Hydrogen rotatable bonds in 715]] | ||
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| + | [[File:1X70_frags.png|thumb|center|800px|All of the fragments from 715 loaded in (bottom, sea blue) and 715.mol2 (top) ]] | ||
Revision as of 12:16, 20 March 2022
System Preparation
Directory Setup
ATTENTION: This tutorial requires you to have first completed the 2022 1X70 VS tutorial: https://ringo.ams.stonybrook.edu/index.php/2022_DOCK_tutorial_3_with_PDBID_1X70
Make a new directory:
mkdir 09.focus_dn
Now inside 09.focus_dn, make the following DOCK6 input file:
Now load up Chimera:
Tools > Binding/Surface Analysis > View Dock > Load each of the fragment libraries
File:1X70 frags.png
All of the fragments from 715 loaded in (bottom, sea blue) and 715.mol2 (top)
