Fix for Minor Issues with PDB <--> OxDNA Conversion #147
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Hi,
Thank you so much for integrating the full conversion feature for PDB <--> OxDNA in oat—it's fantastic!
I tested the conversion by converting some oxDNA files to PDB and back. While the conversion from oxDNA to PDB worked flawlessly, I encountered issues with the conversion from PDB to oxDNA, particularly for single strands. After investigating, I identified the following problems:
one_file_per_strand
flag is set toTrue
, the oxDNA to PDB conversion saves each strand with thestrand.id
of the previous strand.I have addressed all these issues with minor changes to the code.
Looking forward to your feedback!
Best,
Luca