Manage other structures files, other than GRO and PDB - Githubissues

pierrepo / grodecoder

GroDecoder extracts and identifies the molecular components of a structure file (PDB or GRO) issued from a molecular dynamics simulation.

https://grodecoder.streamlit.app/

BSD 3-Clause "New" or "Revised" License

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Manage other structures files, other than GRO and PDB #79

Closed KarinDuong closed 3 months ago

KarinDuong commented 3 months ago

For example :

.incrpd from AMBER (https://docs.mdanalysis.org/2.7.0/documentation_pages/coordinates/INPCRD.html#MDAnalysis.coordinates.INPCRD.INPReader),
.crd from CHARMM (https://docs.mdanalysis.org/1.0.1/documentation_pages/topology/CRDParser.html),
.coor from Namd (https://userguide.mdanalysis.org/stable/formats/reference/coor.html) And MDAnalysis must be able to read it