[phenixbb] phenix elbow: is similar compound helpful to create restraint for new ligand?
guanrj at foxmail.com
Tue Jun 11 08:45:17 PDT 2013
Hello Phenix users,
I have tetrabutylphosphonium in my crystal. I found a similar compound tetrabutylammonium (PDB residue name TBA) which are found in several PDB entries.
Usually I draw the new compound in 2-D format and convert to 3D and then create restrain files. In this case, considering N and P are very similar, will the TBS be helpful for elbow to generate restrains for tetrabutylphosphonium?
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