Rahul Shukla

3 Questions 5 Answers 0 Followers

Questions related from Rahul Shukla

How can we perform optimization of a small molecule in MM2 force field using discovery studio?

I am only able to find CHARMm, cff and MMFF as the option for force field in discovery studio.

30 January 2017 821 2 View

How can I obtain electron density difference map for my studies on intermolecular interactions?

I want to plot how electron density is changing when two monomers are coming close to each other and forming a intermolecular interactions. What are the software or computer program which can...

01 August 2015 1,644 3 View

How can one avoid disorder in crystal structures?

Recently I was working on crystal structures of organic molecules involving CF3 group. I collected data of all the crystals at low temperature (100 K). I observed that in some crystal structure...

15 November 2013 6,893 11 View