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Entity info incomplete for inhomogeneous models #696

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pwrose opened this issue Aug 2, 2017 · 0 comments
Open

Entity info incomplete for inhomogeneous models #696

pwrose opened this issue Aug 2, 2017 · 0 comments

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@pwrose
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@pwrose pwrose commented Aug 2, 2017

See issue:
rcsb/mmtf-python#28

I looked at the entity information in the MMTF files and indeed for example
in 1o2f the third entity is missing (3 non-polymer syn 'PHOSPHITE ION' ).

Models should be homogeneous, i.e., they should contain the same number of
entities in each model.

However, there are a few legacy structures like this one that doesn't
follow the standards.

We use BioJava to convert .cif file to .mmtf files. We need to investigate
how BioJava deals with this situation and see how to fix it.

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