ligand_docking ligand preparation

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    • May 21, 2020 at 5:21 pm #3434
      Anonymous

        Can everyone tell me why my ligand FMN is twisted after using molfile_to_params.py script to prepare param file? It still looks normal when I open with pymol. But it looks twisted after I open with Maestro. 

        Does anyone have similar experiences? 

      • May 22, 2020 at 2:34 am #15303
        Anonymous

          It’s probably to ask that on a Schrödinger forum.  I don’t think it’s a Rosetta-end problem.  The ligand wasn’t twisted when I opened it in Pymol, and I don’t have access to Maestro.

        • June 24, 2020 at 7:38 pm #15354
          Anonymous

            I experienced the same issue. My colleagues suggest me do not us Mastroe 

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