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Include HETATM entries #8

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dominiquesydow opened this issue Jun 27, 2019 · 0 comments

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dominiquesydow commented Jun 27, 2019

Molecules contain atoms belonging not to standard amino acids:

protonated amino acids
non-standard amino acids
ions
water
other solvent molecules

For calculations including z-scales, all atoms that do not belong to a standard amino acids are removed.

What about other encoding methods such as pdbqt?

dominiquesydow mentioned this issue

Required ratar updates #13

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dominiquesydow changed the title ~~HETATM entries~~ Include HETATM entries

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