junioreif / OpenMiChroM

MIT License
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add converters to cndbTools #53

Open s-brahmachari opened 2 years ago

s-brahmachari commented 2 years ago

the converters should have flags to identify a snippet of the trajectory. Given a trajectory of say 1M frames in cndb, one should be able to use the converters to create a .gro/.ndb/.pdb trajectory containing say, 1000 frames starting at t1 and ending at t2, or just one frame.

contessoto commented 1 year ago

Just adding that we need to add the newer version of cndb into the code. -When loading a cndb file, it must check the file version; -Need to add the converter/encoder from .ndb to cndb.