Prasun Kumar

4 Questions 20 Answers 0 Followers

Questions related from Prasun Kumar

How to prepare HEPES Sodium buffer from HEPES?

Hi All: One of my crystallisation condition contains HEPES-Sodium. During the process of optimisation, I am trying to make HEPES-Sodium buffer using HEPES and NaOH. It will be really helpful if...

05 September 2018 7,170 3 View

Can someone please help with Clustering 2D dataset?

I have a matrix consisting of 10000 rows and 2 columns. I wanted to cluster my dataset into k number of clusters. I am aware of the K-mean available in MATLAB, but its clustering is based on first...

08 May 2014 1,296 3 View

Can anyone help with small molecules and their superposition?

I have two small molecules and want to superpose them on each other. Can somebody suggest me some command line program (Linux)?

13 April 2014 1,924 10 View

Can anyone help with OpenBabel and atom labelling?

I have a molecule in cif format and am trying to generate the unit cell using command babel -i cif mol.cif -o pdb out.pdb --unitcell fillUC. I am getting proper output, but the atom label is gone...

13 April 2014 8,477 3 View