oxDNA_PDB.py: RMSF data -> tacoxdna

lorenzo-rovigatti / oxDNA

A new version of the code to simulate the oxDNA/oxRNA models, now equipped with Python bindings

https://dna.physics.ox.ac.uk/

GNU General Public License v3.0

42 stars 27 forks source link

Closed elija-feigl closed 2 years ago

elija-feigl commented 2 years ago

Add the RMSF feature to the oxDNA -> PDB converter implemented with the tacoxdna version

Adds the --rmsf-file option to add bfactor .pdb bases on rmsf data compatible with the oat compute_deviations tool
Fixes DNA only conversion (StopIteration if no additional proteins parsed)

resolves issue #39