Re: [Rdkit-discuss] Question about source code to do energy minimization with UFF or MMFF94 force f
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From: Andrew D. <da...@da...> - 2024-09-11 12:47:44
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Hi Srdjan, > On Sep 11, 2024, at 11:12, Srdjan Pusara <srd...@ho...> wrote: > I would like to ask is it possible to find source code how these [UFF] interaction terms were implemented? The RDKit source code is available at https://github.com/rdkit/rdkit/tree/master . Use the green button labeled "<> Code" to get the source code either through the git version control tool, or as a zip file. If you want to use the web interface, see https://github.com/rdkit/rdkit/tree/master/Code/ForceField/UFF Best regards, Andrew da...@da... |