I'm trying to dock a zinc complex, but when I tried to prepare the ligand, I get an error saying that there are no Gasteiger parameters available for it. I know you can add atom types in Autodock 4.2, so I was wondering if the same can be done in Crankpep. If so, where is the parameter file located? I have not had luck finding it, but then again, I am kind of new to linux and probably have not utilized all the tools available for looking for files.
Thanks, Alex. Kind of miss the point of the relevance of the OS. My question is regarding whether the parameter file of Autodock CrankPep has data for zinc. Regardless of the platform the software will run on, it is either going to have the data for zinc, or it won't. My point on linux was simply that I am not versed on all the commands you can use in the terminal that could potentially help me find the file, that's all.
Thanks again for your feedback.
Hi,
This tutorial maybe useful.
http://autodock.scripps.edu/resources/autodockzn-forcefield
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