Developed by karthikeyan [email protected] https://github.com/karthikn130/dlg_parser_pymol_plugin
Download the zip file. In the pymol goto plugin --> install new plugin --> choose --> choose the zipfile to install the plugin. After installation of Pymol plugin, new menu will be created in plugins menu.
This is a schrodinger-pymol plugin.Install this plugin like anyother plugin in pymol. This pugin is platform independent and works on windows, linux all distros, and mac. This plugin is used to view the docking scores of autodock and autodock vina in pymol. This plugin is usefull while analysing hundreds of dlg files and vina output files. To view the docking scores enter the main docking folder location.
dock folder - it is the single autodock folder where dlg file is present
main docking folder - it contain many autodock subfolders
when dlg file is given - docking score of that compound will be displayed
when dock folder is given - docking score of that compound will be displayed
when main docking folder is given - docking score of all the subfolders will be displayed
To get docking score of autodock vina enter the main folder name as input. It will show the docking score along with output ligand name.
Article: https://papers.ssrn.com/sol3/papers.cfm?abstract_id=4170089 The doi is: 10.5281/zenodo.6821116 please cite this plugin in your work get other citation information in my github page https://github.com/karthikn130/dlg_parser_pymol_plugin