Tools

Tools I use for work.

Author: Oliver Schillinger

Most are developed by myself. If I took them from somewhere I provide credit.

gmin_lipase_cluster.py

A script to analyze the structures found in several GMIN runs. This is pretty much taylored to my needs for my Master and PhD project.

A script to analyze hydrogen bond networks. This has not been written by myself. It is released under the GNU General Public License.

Compute the running average of a linear dataset.

A simple work distributor I use on our local JUBIO cluster. Call wodi.py -h for instructions.

Name		Name	Last commit message	Last commit date
Latest commit History 138 Commits
.gitignore		.gitignore
HBonanza.py		HBonanza.py
LS.py		LS.py
MCmin.py		MCmin.py
README.md		README.md
complex_traj_collective_coords.py		complex_traj_collective_coords.py
dmax.py		dmax.py
dmorph.py		dmorph.py
dmorph.tcl		dmorph.tcl
dmorph2.tcl		dmorph2.tcl
fes.py		fes.py
gmin_lipase_cluster.py		gmin_lipase_cluster.py
mean_shift.m		mean_shift.m
molecule.py		molecule.py
nmr.py		nmr.py
nmrold.py		nmrold.py
nodetest.pl		nodetest.pl
pca.py		pca.py
pdbrenum.py		pdbrenum.py
replica_hist.py		replica_hist.py
rg.py		rg.py
rmsd.py		rmsd.py
rmsf.py		rmsf.py
rot.py		rot.py
running_average.py		running_average.py
saltbridges.py		saltbridges.py
wodi.py		wodi.py
xvg_read.py		xvg_read.py
xvg_read3.py		xvg_read3.py