Macromolecular Crystallography Software

The table below lists all the crystallographic software programs installed on the SSRL computers. Programs that are fully supported by SSRL staff are regularly updated (usually within 2-3 months of the version release) and thoroughly tested in the beamline environment. Unsupported programs are also available, but no guarantees are made as to updates, configuration, testing, etc.

Older and more recent versions of some programs may be available. To find out which versions are available, use the "module avail" command:

  • module list (list the currently active version of the programs).
  • module avail (list all available versions of the programs).
  • module switch "default-version" "another-version" (changes the current default version of the program with the desired version).

Please click on the program name to access the program home page.

Program SSRL Manual Program Manual Current Version Last update Expiration date License contact/Download site User Support
Data processing and strategy
Mosflm Mosflm-Scala tutorial Manual 7.2.1 (current CCP4 dist.) Sep 2015 none Download from MOSFLM site
Download from CCP4 site
imosflm Not available Manual 7.2.1 (current CCP4 dist.) Sep 2015 none Download no
Scala Mosflm-Scala tutorial Manual 3.3.22 (current CCP4 dist.) July 2013 none Download from CCP4 site yes
HKL-2000 HKL-2000 tutorial Purchase HKL2000 manual or use
HKL Manual (PDF)
715 Apr 2017 none Contact Iwona Minor at HKL yes
XDS/XSCALE XDS tutorial Manual Nov 1, 2016 (Built 20161205) Dec 2016 Jun 30, 2017 Download yes
autoPROC Not available Documentation 20160324 May 2016 May 2018 Download from GlobalPhasing site no
Web-Ice Web-Ice Guide Manual (PDF) 4.5 October 2012 none Ana Gonzalez yes
Labelit Not available Manual Now part of phenix distr. See Phenix none Download no
BEST Not available Manual 3.4.4a September 2011 none Dowload no
RADDOSE Not available Manual 6.0 January 2008 none Elspeth Garman no
ELVES Not available Manual 1.2.5 June 2009 none Download no
Phasing and Refinement
CCP4 Not available Manual 7.0.038 May 8, 2017 none Download yes
REFMAC Not available Manual 5.8.0135 (current CCP4 dist.) Oct 2016 none Download no
PHENIX Not available Manual 1.11.1-2575 (dev versions available via module command) Nov 2016 none Download no
Solve/Resolve Not available Solve Manual
Resolve Manual
2.13 April 2010 N/A Download yes
SHELX Not available SHELX Manual (PDF)
shelxd-2016/1 shelxd-2013/2 shelxe-2016/3 shelxl-2016/6 Jan 2018 Jan 1, 2018 (shelxe) Download yes
SnB Not available Manual 2.3 March 2009 none Download no
autoSHARP Not available Documentation 20160324 May 2016 May 2018 Download from GlobalPhasing site no
BUSTER Not available Documentation 20160324 May 2016 May 2018 Download from GlobalPhasing site no
ARP/wARP Not available Manual 7.6 Feb 2016 none Download no
CNS Not available Manual 1.3 Mar 2011 none Download no
Phaser Not available Manual 2.7.17 (CCP4), 2.7.16 (Phenix) As per CCP4/Phenix none Download no
Model Building and Molecular Graphics
Coot Coot tutorial Manual 0.8.8 (CCP4 dist.) Apr 2017 none Download yes
O Not available Manual 12.0 May 2009 none Download no
USF Not available Manual N/A July 2004 none USF site no
PyMOL Not available Manual May 2015 none Download no