15 Jul
                
                    2019
                
            
            
                15 Jul
                
                '19
                
            
            
            
        
    
                2:15 p.m.
            
        I used elbow to generate restraints for taxol using chemical componenet and sdf file. I posted before to the list and Oleg was kind enough to provide restraints generated by readyset. No matter what restraints I use, the taxol is messed up! The other thing is, the refinement keeps breaking the peptide bond at a specific location! I would like to send some files to someone privately to investigate! Please let me know. Regards.