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Partially Fixes #4268 Attempt
Changes made in this Pull Request:
CMSParser
CMS
Files and extractingatomnames
,resnames
,atomids
,resids
,segids
Currently the problem that I am facing is, that I have all of the necessary data as arrays, which I give into the
Topology
asattrs
, but somehownames
is recognized correctly, while in the remainder only the firstitem is recognized, thus each atom will belong to the first
resname
,resid
andsegid
and I am notsure what the reason is for the
Topology
only recognizing the first item for those and all for theatomnames
PR Checklist
Developers certificate of origin
📚 Documentation preview 📚: https://mdanalysis--4816.org.readthedocs.build/en/4816/