User Activity

  • Posted a comment on discussion Help on Pharmer

    Hi, For pharmacophore screening with million of compounds, I recently observed the difference in the protonation states between the input mol2 files and output sdf files. This is an important issue and need to be addressed. I have attached one example in this regard(mol2 input file and sdf output file). Please let me know how this issue can be resolved or I am missing something in that regard.

View All

Personal Data

Username:
himanshugoel
Joined:
2021-08-10 19:52:53

Projects

  • No projects to display.

Personal Tools

MongoDB Logo MongoDB