Reply To: Segmentation fault when reading VMD PDB

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March 7, 2011 at 11:11 pm #5132
Anonymous

    Okay.

    For me I think two things were going on:

    1. A few of the hydrogen names were causing a segmentation fault, for whatever reason.
    2. One of the atom types in the PDB was triggering a repacking of some of the sidechains (C or O) because it couldn’t be identified. I need to be sure that the structure of what I’m loading in the pose is maintained, at least until I invoke a particular protocol.

    So far scrubbing the PDB seems to be working but may not be the most efficient solution.