资 源 简 介
A little php scirpt to auto generate a CNS mtf and pdb file.
FILES:
1)
gen #executable php script
### 2) ###
gen-1.2.inp #an template generate.inp file, you can mod it as your will.
SETUP:
1)
copy the two files to some directory.
for example:
dir/gen
dir/gen-1.2.inp
find the string "/soft/Linux-i686_x86_64/wlf_scripts/gen-1.2.inp" and replace it with your gen-1.2.inp file location.
2)
set the path env variable of this script
USAGE:
under a shell command-line:
%gen XXX.pdb
This script will auto generate a XXX_g.mtf and XXX_g.pdb file for you.
Hope this little script cound save some time for you^^.
This scrtpt can easily be modified to iterate more procedures, for example: minimize/bindividual for 30 times, then, make a model_map of it. If you find it hard, pleas
