Features

    * advanced docking tools for a variety of fitting scenarios
    * exhaustive rigid-body search algorithm
    * flexible docking of molecules for situations where the atomic structure deviates from the low-resolution density
    * individual, stand-alone programs
    * Each program is self-explanatory 
    * ocumented source code written in ANSI C

SITUS runs on Linux machines; the executables are in:
/joule2/programs/lx_bin/
the modules are: conformat volslice volcrop histovox floodfill qrange hlxbuild interpolate pdblur qdock qpdb qvol subtract volcube volpad

The program is installed in /joule2/programs/situs/Situs_2.1.1_single_tutorial/bin:

The documentation is available from http://situs.biomachina.org/fguide.html

The program is available from http://situs.biomachina.org/freg1.html

#!/bin/csh -f
conformat rabbit65_trim.ccp4 rabbit65.situs << eof >log
3
3.918000
eof

#!/bin/csh -f
volslice rabbit65flood.situs << eof >log

#!/bin/csh -f
volcrop rabbit65.situs rabbit65cropped.situs << eof >log
17
45
17
45
15
88
eof

#!/bin/csh -f
histovox rabbit65cropped.situs rabbit65croppedhist.situs << eof >log
0
10
eof


#!/bin/csh -f
floodfill rabbit65croppedhist.situs rabbit65flood.situs << eof >log
20
1
1
1
2
eof

#!/bin/csh -f
qrange rabbit65flood.situs brute_ptf_in.pdb << eof > log
3
3
1
100
1
1
test.pdb
eof