Command line version of the BioFET-SIM method
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lib
.gitignore
1AVD-09.0.bfs
1AVD-10.5.bfs
1AVD.bfs
1ssk-03.80-neg-wire.bfs
1ssk-03.80-neg-wire.dat
1ssk-03.80-pos-wire.bfs
1ssk-03.80-pos-wire.dat
1ssk-07.40-neg-wire.bfs
1ssk-07.40-neg-wire.dat
1ssk-07.40-pos-wire.bfs
1ssk-07.40-pos-wire.dat
1ssk-11.00-neg-wire.bfs
1ssk-11.00-neg-wire.dat
1ssk-11.00-pos-wire.bfs
1ssk-11.00-pos-wire.dat
aha.bfs
bio_cmd.py
bio_com.py
bio_com.pyc
bio_exe.sh
bio_lib.py
bio_lib.pyc
bio_run.py
imp.py
inp.bfs
kk8add-asp-wire.bfs
kk8add-asp-wire.dat
kk8add-lys-wire.bfs
kk8add-lys-wire.dat
readme

readme

************************************
BioFET-SIM Command Line Version (CMD)
************************************

This is the Github repository for the command line version
of the BioFET-SIM method.


Please cite the following articles in work making use of the method:
http://pubs.rsc.org/en/Content/ArticleLanding/2011/NR/c0nr00442a
http://pubs.rsc.org/en/Content/ArticleLanding/2011/NR/c1nr10316d
http://arxiv.org/abs/1204.6140


You can find an introduction to the method at the following URL:
http://proteinsandwavefunctions.blogspot.dk/2012/05/biofet-sim-web-interface-implementation.html


The webinterface to the BioFET-SIM method can be found at:
http://www.biofetsim.org

Example of command line screening of variable:
$ for i in {9738937,973893,97389,9738,937}
  do
    python bio_run.py --set num_prot $i 1AVD.bfs
    python bio_run.py --calc 1AVD.bfs
  done
Use 'grep' to parse for sensitivity output