baker-laboratory / RoseTTAFold-All-Atom

Other
649 stars 118 forks source link

rf2aa as a Python module #78

Closed YaoYinYing closed 6 months ago

YaoYinYing commented 7 months ago

Hi, this PR transforms RF2AA as a pip installable module to allow one run it anywhere.

BLAST and CS-BLAST are now placed in $CONDA_PREFIX/share/ according to these comments: https://github.com/baker-laboratory/RoseTTAFold-All-Atom/issues/5#issuecomment-1990991606 https://github.com/RosettaCommons/RoseTTAFold/issues/13#issuecomment-1405850297

Also, the keywords of database_params in base.yaml is slightly changed. These will be passed to make_msa.sh and preprocessing.py.