diffab icon indicating copy to clipboard operation
diffab copied to clipboard

Published 20 hours ago • verified publisher icon luost26

Issues with Sidechain packing

Open IrumHu opened this issue 2 years ago • 2 comments

Hi , for the 7DK2_AB_C.pdb I have sampled it using codesign_multicdrs.yml and when I am trying to do side chain packing and full atom refinement it is giving errors.I am running the differ/tools/relax/run.py over the sampled files. Screenshot 2022-12-22 at 7 21 10 PM

IrumHu avatar Dec 22 '22 13:12 IrumHu

Hi, I am also trying to do side chain packing and refinement. Can you share your full command with options? Thanks

Samuel-gwb avatar Feb 02 '23 07:02 Samuel-gwb

i want to eval results ,so i run diffab/diffab/tools/eval/run.py,but it has something errors in ray and i don't know why? image

YinHan-Zhang avatar Jun 18 '23 13:06 YinHan-Zhang