Pinned Repositories
Docs_of_Jian.github.io
Docs of Jian
drawRDF
A Python script that plots radial distribution function (RDF) and coordination number curve from xvg file produced by gromacs.
drawXPM
A python script for drawing filled contours from xpm file by gmx densmap.
gmxoutchg_py
Extract atomic charges from formatted .tpr file (For gromacs 2018.8).
Scripts
Some scripts for computational chemistry.
luck19990920's Repositories
luck19990920/drawRDF
A Python script that plots radial distribution function (RDF) and coordination number curve from xvg file produced by gromacs.
luck19990920/Docs_of_Jian.github.io
Docs of Jian
luck19990920/drawXPM
A python script for drawing filled contours from xpm file by gmx densmap.
luck19990920/gmxoutchg_py
Extract atomic charges from formatted .tpr file (For gromacs 2018.8).
luck19990920/Scripts
Some scripts for computational chemistry.