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 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 \
