| proteinsetup |
setup initialization scripts with protein defaults |
mproteinsetup |
evpy-config dirax.init peakref.init view.init |
protein |
| renameimages |
rename images to systematic names |
mrenameimages |
s01f0001 s01f0002.... |
protein |
| scancheck |
preliminary analysis |
|
scanchecks01f.log |
protein |
| splitimages |
split scan into two scans |
|
s01f0001 s01f0002... s02f0001 s02f0002..... |
protein |
| imagesum |
various image manipulations |
|
|
|
| low3 |
create low image |
|
s01flow.mccd |
protein |
| buildimagemerge |
create script to merge images |
|
mergeimages.imc |
|
| view |
Image display |
mview |
detalign.vic |
|
| tunebeamstop |
set beamstop parameters |
tunebeamstop |
beamstop.vic |
|
| view |
Examine resolution limits and nr of peaks |
mview |
|
protein |
| buildsearch |
build peak search script |
mview → Start peaksearch |
isearch.vic |
protein |
| view @isearch |
do peak search |
i1.drx i1.pk |
protein |
| dirax |
find cell |
mdirax |
i1.rmat |
protein |
| peakref |
refine cell and detector parameters |
mpeakref |
i1r.rmat detalign.vic |
protein |
| rmatrix |
standardize cell |
|
ic.rmat |
protein |
| peakref |
refine cell and detector parameters |
mpeakref |
first.rmat detalign.vic |
protein |
| cell |
print/modify rmatfile |
|
|
|
| builddatcol |
create boxcreation scripts |
mview→Datcol |
datcols01f.vic datcolsetup.vic datcol.vic |
protein |
| view @datcol |
create boxfiles |
s01f001.shoe.... |
|
| eval14 |
create and check integration parameters |
meval14 |
xtal.evc |
protein |
| eval14all |
integrate all boxfiles with eval14 |
|
final.y(.gz) |
protein |
| any |
set reflection filters and create pk |
many |
final.pk |
protein |
| peakref |
refine cell and detector parameters |
mpeakref |
second.rmat detalign.vic |
protein |
| buildeval15 |
set integration parameters |
mbuildeval15 |
eval15.init spectrum.pic focus.pic detector.pic crystal,pic mosaicity.pic simulate.pic refine.pic |
protein |
| eval15 |
tune integration parameters |
meval15 |
|
|
| eval15all |
integrate all boxfiles with eval15 |
|
final.y(.gz) |
|
| queuesetup |
setup batch integration using eval15 |
|
joba jobb jobc |
|
| queuestart |
start batch integration using eval15 |
|
final.y(.gz) |
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| queuewait |
monitor batch integration using eval15 |
|
|
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| queueclean |
cleanup after batch integration using eval15 |
|
|
|
| any |
statistics, create reflection files |
many |
shelx.sad, shelx.hkl |
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| anafcf |
various plots with fcf data |
|
|
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| loglog |
compare two reflection files |
|
|
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| sadabs |
scaling, error model |
msadabs |
sad.hkl, sad.abs, sad.eps |
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| twinabs |
scaling, error model |
mtwinabs |
twin.hkl twin.abs twin.eps |
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| img2r |
merge images into cnt file |
|
recip.cnt recip.rmc recip.coot |
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| cnt2ccp4 |
convert cnt file to ccp4 map |
|
recip.map |
|
| rmat2db |
convert rmat file to pdb |
|
ic-axes.pdb ic-hkl.pdb ic.scm |
|