Open Le-Phung-Hien opened 1 year ago
Hi Xujun,
I run karmadock with this receptor receptor.pdb.txt, ligand ligand.smi.txt, and crystal ligand Crystal_lig.mol2.txt. Many output structure have steric clash with the receptor file, e.g. CP1_pred_align_corrected.sdf.txt or CP6_pred_align_corrected.sdf.txt.
I have use the yaml file in test.zip to build environment.
Where do you thing is the issue?
Thanks!
Hien
Hi Xujun,
I run karmadock with this receptor receptor.pdb.txt, ligand ligand.smi.txt, and crystal ligand Crystal_lig.mol2.txt. Many output structure have steric clash with the receptor file, e.g. CP1_pred_align_corrected.sdf.txt or CP6_pred_align_corrected.sdf.txt.
I have use the yaml file in test.zip to build environment.
Where do you thing is the issue?
Thanks!
Hien