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 7.2.2 (current CCP4 dist.) May 2018 none Download from MOSFLM site
Download from CCP4 site
yes
imosflm Not available Manual 7.2.2 (current CCP4 dist.) May 2018 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 Jan 26, 2018 (Built 20180131) Jan 2018 Dec 31, 2018 Download yes
nXDS/nXSCALE Not available Manual Jan 30, 2018 (Built 20180221) Feb 2018 Dec 31, 2018 Download no
autoPROC Not available Documentation 20180516 May 2018 May 2019 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
IOTA 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 7.0.057 May 16, 2018 none Download yes
REFMAC Not available Manual 5.8.0222 (current CCP4 dist.) March 2018 none Download no
PHENIX Not available Manual 1.13-2889 (dev versions available via module command) Jan 2018 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)
SHELXC/D/E Manual (PDF)
shelxc-2016/1 shelxd-2013/2 shelxe-2018/1 shelxl-2018/1 Jan 2018 Jan 1, 2019 (shelxe) Download yes
SnB Not available Manual 2.3 March 2009 none Download no
autoSHARP Not available Documentation 20189516 May 2018 May 2019 Download from GlobalPhasing site no
BUSTER Not available Documentation 20180516 May 2018 May 2019 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 2.8.2 (CCP4), 2.8.1 (Phenix) As per CCP4/Phenix none Download no
Model Building and Molecular Graphics
Coot Coot tutorial Manual 0.8.9.1 (CCP4 dist.) Jan 2018 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 1.7.5.0 May 2015 none Download no