Traceback (most recent call last):
File "D:\Program Files\PyRx\lib\site-packages\PyRx\molNavigator.py", line 164, in OnFlexResidues
if self.frame.vsModel.flex_residues:
AttributeError: VSModel instance has no attribute 'flex_residues'
Mohd Shahbaaz
I will suggest use AutoDock tools for the flexible docking. As it is gving an option of how much residue you want make flexible in the rigid protein structure file
0 votes
0 thanks
Pankaj Mishra
Thank you Mr. Shahbaaz and Dr.Perspicace.
I have a library of thousands of compounds which I want to screen with PyRx hence I needed this.
Dr.Perspicace, how can we use Marvinbeans for flexible residues selection/docking?
0 votes
0 thanks
- Badges
- Science topic
- Similar topics
- Bioinformatics
- Bioinformatics and Computational Biology
More Pankaj Mishra's questions See All
Similar questions and discussions