Hi,
this can be a start:
http://cci.lbl.gov/docs/cctbx/doc_maps_boxing/
There are a lot of boxing options: with and without masking (with many
masking options: smooth masks, etc), around atom selection, per NCS etc..
Pavel
On Fri, Aug 5, 2022 at 2:30 AM Evgenii Osipov wrote:
> Dear CCP4 communit
Dear all
I was wondering if there is an alternative to escet, which I found very useful
in the past, for comparing crystal structures and evaluating the significance
of the shifts.
Thanks in advance
Best
Felipe Trajtenberg, PhD
Tenured Research Scientist
Laboratory of Molecular & Structural M
Dear Colleagues:
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part of a multi-position search. We are particularly
Dear all
This is a final reminder for this post. The closing date is the 11th of August.
A second postdoctoral position in the Integrated Structural Biology lab at The
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Dear CCP4,
Thanks for the answers — now I could to do map masking using Gemmi. It is worth
to post the Python script in case someone else would need it too:
import gemmi
mtz = gemmi.read_mtz_file(‘map.mtz’)
m = gemmi.Ccp4Map()
m.grid = mtz.transform_f_phi_to_map(‘2FOFCWT’,’PH2FOFCWT’,sample_ra
Dear CCP4 community,
I am looking for a way to cut a fragment of electron density around specified
set of atoms using Python script. In CCP4 I found MAPMASK, which could cut
fragment of electron density within specified region around input PDB:
#!/bin/bash -f
$CCP4/bin/mapmask \
MAPIN tmp.map \
Dear colleagues,
At the VIB-VUB Center for Structural Biology (Vrije Universiteit Brussel / VIB
- Brussels - Belgium), we are looking for a highly qualified and motivated
postdoctoral researcher with a strong background in Cryo-EM and/or X-ray
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