nioroso-x3 / dr_sasa_n

Solvent Accessible Surface calculation software for biomolecules.
http://www.schuellerlab.org/dr_sasa/
MIT License
16 stars 9 forks source link

Add triplet output option #3

Open Luofan-KK opened 1 year ago

Luofan-KK commented 1 year ago

Users can now set the mode to 21 and receive residue level inter-contact data in triplet format only. This will reduce disk space usage.

In previous version, when user set mode to 2 and only want to obtain residue-level output, the program outputs atom-level results, resulting in a large file size. And the matrix is very sparse and contains many NaN elements, the triplet format will further reduce disk space usage.