Difference between revisions of "2022 Denovo tutorial 3 with PDBID 1X70"
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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 | 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 | + | Make a new directory: |
| − | mkdir 09.focus_dn | + | mkdir 09.focus_dn |
Now inside 09.focus_dn, make the following DOCK6 input file: | Now inside 09.focus_dn, make the following DOCK6 input file: | ||
| Line 18: | Line 18: | ||
| − | [[File:1X70_linkers.png|thumb|center|800px|All of the linkers from fraglib_linker.mol2, | + | [[File:1X70_linkers.png|thumb|center|800px|All of the linkers from fraglib_linker.mol2, fragments with 2 non-Hydrogen rotatable bonds in 715]] |
| − | [[File: | + | [[File:1X70_sidechains.png|thumb|center|800px|All of the sidechains from fraglib_linker.mol2, fragments with 1 non-Hydrogen rotatable bonds in 715]] |
Revision as of 12:07, 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
