Changes between Initial Version and Version 1 of Ticket #4161, comment 2


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Timestamp:
Jan 22, 2021, 3:05:13 PM (5 years ago)
Author:
Greg Couch

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  • Ticket #4161, comment 2

    initial v1  
    33There are lots of issues here.
    44
    5 I hope you filed a bug with the PDB's validator.  The mmCIF coordinates should be exactly the same as the PDB ones.  So if the angles are bad in one, then they should be bad in the other.
     5I hope you filed a bug with the PDB's validator.  The mmCIF coordinates are exactly the same as the PDB ones.  So if the angles are bad in one, then they should be bad in the other.
    66
    77ChimeraX's mmCIF output is not complete.  For example, sheet information is lost because ChimeraX does not preserve that information from PDB files nor mmCIF files.  The PDB comments are not translated.   If you want to convert a PDB file into a mmCIF one, you should use the PDB's MAXIT software suite.  Not sure how well it works for PDB files that aren't deposition ready.