Too many atom types!

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Re: Too many atom types!

Postby sargis » Wed Aug 13, 2014 3:02 am

wazeer wrote:I have run Vina successfully but when I tried using Autodock4 with the NCI library, it gives me "Too many atom types" error although each ligand by itself does not have more than 12 different atom types, please let me know what to do about that ?

Hi Muhamad,

I think I found a fix for this. Please download AutoDock source code from ... load-page/. Extract source tarball, edit src\autodock\autocomm.h and replace MAX_ATOM_TYPES (16 with MAX_ATOM_TYPES (32. Follow instructions in the README to build the binaries. Replace autodock4 and autogrid4 in PyRx-0.9.2/bin with this binaries to see if that fixes "Too many atom types" error.

Hope this helps.
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