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This happens at least with the latest releases of DialsIntegrater. When the integration takes place, one of the last operations performed in the `_integrate` function is to retrieve the mosaic from th…
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Currently any co-factor restraints need to be supplied by adjusting the cif file of the bound ligand. This is awkward as it cannot be done within the xce interface, and is inconsitent with crystallogr…
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Hi, I'm getting an issue coping a map.
If I try to load the map i attached and then copy it, it results in a messed up map.
here the map: https://www.dropbox.com/s/37abshy1w2zfbop/map_issue.ccp4?…
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# Search returns irrelevant values after config update
The behavior changed after PR https://github.com/algolia/docsearch-configs/pull/2091 was merged.
### If it is a DocSearch index issue, what…
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Possibly as a side-effect of merging https://github.com/xia2/xia2/pull/310 - seems to hang when starting on the reading images / set up phase
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user feedback:
=> change " to ' in data_dirs etc.
>> change keywords
>> working example:
pandda.analyse data_dirs='/mnt/users/maveyrau/structures/XXXX-frag4PICT/*' \
out_d…
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Hi,
Doing ```map_set map_name, copy, my_map``` always crashes PyMol. Is there a bug?
I am on Ubuntu using PyMol2.2
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Essentially the clever code which handles split up data sets is insufficiently clever.
@rjgildea @dagewa for info
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For large reflections files (e.g. several million unmerged reflections) extracting miller arrays from an mtz file takes a long time, the majority of which appears to be spent calling cctbx.miller.set.…
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Hi guys! Great job with the package ;)
I just found a bug when reading a couple of .ccp4 files. The _header_struct object in the CCP4 class is reading "ncstart", "nrstart" and "nsstart" as unsigned i…