Reply To: trying to create heme.params

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March 1, 2011 at 4:04 pm #5097
Anonymous

    Hi Irene,

    I ran molfile_to_params on the file you sent and was able to reproduce your error. I tried to visualize the molecule using MOE and was unable. I then opened the molecule up in pymol and was able to view it. I saved the molecule as a *.mol file and was able to use the mol_to_params script to generate a params file for it.

    In general, molfile_to_params chokes on *.mol2 formats, even though it should support them. I suggest saving whatever molecules you make in the *.mol format.

    Steven C