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Crystallography Software at the SBC

Where?
On SBC Linux machines, application software is organized in version-specific subdirectories under /net/prog1.

How?                           
For command line suites, you need to type XXX-setup (where XXX represents the desired application),
which will give you an xterm from which you can run the XXX program commands.
For GUIs, and a subset of specific programs, type the command scripts located under /net/prog1/bin.

Command scripts are in your path for the following programs:

For:

Type at the prompt: (case sensitive)

GUI interfaces
ARP/wARP ccp4i
ccp4i ccp4i
Coot coot
hkl2map (shelx) hkl2map
HKL3000 HKL3000
Mosflm mosflm, imosflm
O ono
phenix phenix
PyMOL pymol
SnB SnB
XtalView xfit, xtalmgr, or ccp4i
xprep xprep
Command line suites**
CCI Apps (phenix.xtriage, phenix.hyss, etc.) cci-setup
CCP4 ccp4-setup
CNS cns-setup
SHELX-97 shelx-setup
Solve/Resolve solve-setup
Some USF programs
dataman dataman
mapman mapman
moleman moleman
moleman2 moleman2
Seq2comp.f seq2comp

**The setup scripts produce a light gray xterm.  Within this window, the suite should be fully functional.


Some web sites of interest to SBC users:

APS Storage Ring Status
http://www.aps.anl.gov/aod/blops/status/smallHistory.html
BnP
http://www.hwi.buffalo.edu/BnP/
Book of Fourier
http://www.ysbl.york.ac.uk/~cowtan/fourier/fourier.html
CCI Apps
http://www.phenix-online.org/download/cci_apps
CCP4
http://www.ccp4.ac.uk/
CNS
http://cns.csb.yale.edu/v1.2/
COOT
http://www.ysbl.york.ac.uk/~emsley/coot/
European Bioinformatics Institute
http://www.ebi.ac.uk/
ExPASy Proteomics Server
http://ca.expasy.org/
HKL
http://www.hkl-xray.com/
MolProbity
http://molprobity.biochem.duke.edu/
mosflm
http://www.mrc-lmb.cam.ac.uk/harry/mosflm/
NCBI
http://www.ncbi.nlm.nih.gov/
O
http://xray.bmc.uu.se/~alwyn/
PDB
http://www.rcsb.org/pdb/Welcome.do
Protein Crystallography Course
http://www-structmed.cimr.cam.ac.uk/course.html
PyMOL
http://pymol.sourceforge.net/
SHELX
http://shelx.uni-ac.gwdg.de/SHELX/
SnB
http://www.hwi.buffalo.edu/SnB/
Solve/Resolve
http://www.solve.lanl.gov/
TargetDB
http://targetdb.pdb.org/
Twinning server
http://nihserver.mbi.ucla.edu/Twinning/
Uppsala Software Factory
http://xray.bmc.uu.se/usf/
X-ray Anomalous Scattering
http://www.bmsc.washington.edu/scatter/AS_index.html
XtalView
http://www.sdsc.edu/CCMS/Packages/XTALVIEW/XVcpyrt.html

MEC November 2007

 

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