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Crystallography Software

Adxv

Environment is already set up. Just start using.

References:

autoPROC

To use autoPROC, run: 

$ setup-autoproc

This will also setup CCP4 automatically.

To view autoPROC documentation, run the following at a beamline computer: 

$ firefox $AUTOPROC/docs/autoproc/manual/autoPROC0.html

BEST

(For academic users only)

Environment is already set up. Just start using.

References:

CCP4

To configure the CCP4 environment, run: 

$ setup-ccp4

References:

d*TREK

Environment is already set up. Just start using.

References:

DIALS

To configure the DIALS environment, run: 

$ setup-dials

References:

PHENIX

(academic users only)

To configure the PHENIX environment, run: 

$ setup-phenix

References:

XDS

Environment is already set up. Just start using.

You can run xds_doc for documentation: $ xds_doc

Note: There are multi-processor versions of xds, xscale, mcolspot, and mintegrate named xds_par, xscale_par, mcolspot_par, and mintegrate_par respectively. "par" is short for "parallel". If you are running this program on a computer with more than one CPU, these alternate binaries will take advantage of the extra CPUs. To find out whether the computer has more than one processor, you can execute this: 

$ cat /proc/cpuinfo | egrep -c '^processor[[:space:]]*:'

If the above command prints a number greater than 1, you should be able to use the alternate "par" binaries.

Note 2: Just as an FYI, Intel has a technology called hyper-threading which makes one CPU look like two CPUs to the operating system. So it is possible to get a report of more than one CPU when the computer actually only has one. But this is OK since the operating system and the "par" binaries can't tell the difference between two physical CPUs and one physical CPU with hyper-threading enabled so you can still safely use the "par" binaries as long as the above command reports more than one CPU.

References:

xia2

xia2 is included in the CCP4 package. See the CCP4 section above for instructions on how to configure your environment.

References: