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Rename some fields read from PDB, to be more in line with PDB conventions #298

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tovrstra opened this issue May 8, 2023 · 3 comments
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good 1st issue Good issue for beginners

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@tovrstra
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tovrstra commented May 8, 2023

For example, use atname instead of attype. Normally, the field from which it is read is an atom name, not an atom type. Same issue for resname versus restype.

See PDB spec: https://www.wwpdb.org/documentation/file-format-content/format33/sect9.html#HETATM

Originally posted by @tovrstra in #284 (comment)

@Aditish51
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Hey @tovrstra Can I work on this? It seems that just renaming has to be done which I think I can do.

@PaulWAyers PaulWAyers added the good 1st issue Good issue for beginners label Mar 8, 2024
@PaulWAyers
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I think that @evohringer may also be able to help guide this effort.

@tovrstra
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Sounds good. I'm happy to review.

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