CDock 3.0.8
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Tabatha Pasqua
Jul 16, 2024, 1:05:38 AM7/16/24
to tidakilo
To design and use a custom reaction type in your covalent docking run, you can use a set of keywords that specify the receptor reaction site, the ligand reaction site, and the changes in bonding, charge, or chirality that take place in the reaction. These keywords can be added to the input file (jobname.inp) if you want to run the job from the command line. They can also be saved in a custom chemistry file, my-reaction.cdock, and then selected in the Covalent Docking panel by choosing Custom for the reaction type and browsing to the file.
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