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HKL2000 and HKL (xdisp/denzo/scalepack) |
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DPS processing programs |
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Supported Detectors |
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Download DPS |
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Program Details |
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Software History |
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Frequently Asked Questions |
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References |
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Interactive DPS/Mosflm/CCP4 Data
Processing Suite |
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XDS
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documentation and an initial input file are available via
xds_doc |
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to run
XDS create a new directory, change to it, place the XDS.INP
there and edit it according to your project, type
xds |
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CCP4 suite documentation |
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for
interface to CCP4 programs & file display type
CCP4i |
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SAPI
(CCP4) |
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find
heavy atom positions using SAD data: |
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create an MTZ file of
SAD data; |
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create a sapi.com
file, example available as
>> cp $RUNFILES/sapi.com . - don't
forget the dot at the end; |
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edit sapi.com to
reflect your data file, change column labels if necessary;
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>>sh
sapi.com > sapi.log |
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look at peak list in
sapi.log for an outstanding set of peaks. |
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Further
questions? Please see the author
Quan Hao in house! |
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SOLVE
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find
heavy atom positions using SAD or MAD data - type
solvehelp for the manual,
solve to start the program |
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Shake-and-Bake
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find
heavy atom positions using SAD data - type "SnB"
or "BnP" to start up the Java
interface |
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ARP/wARP Documentation |
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CNSsolve |
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multiple
programs for structure solution and refinement - type "cns_web"
for Web interface (runs locally), including tutorial as well as
tools for use, to run the program itself, type "cns_solve" |
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FSEARCH
(CCP4) |
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perform
upto 6 dimensional molecular (envelope) replacement search |
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ABS (CCP4) |
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determine
the absolute configuration (hand) of the heavy atom substructure
and calculate an FOM |
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O: A Package for Protein
Crystallography |
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map and
molecule display, model building, type "
start_o" and accept all the default answers |
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coot |
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model
building and refinement tool - type coot |
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pymol |
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fancy
graphics movies, rendering, and so much more..., type
pymol |
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MolScript |
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program
for displaying molecular 3D structures, such as proteins, in
both schematic and detailed representations. |
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