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Squashed 'modules/pmi/' changes from 0cc74fff49..9f3a41425c
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9f3a41425c Fix markup

git-subtree-dir: modules/pmi
git-subtree-split: 9f3a41425cc550caa103aa364622638250723952
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benmwebb committed Nov 18, 2023
1 parent f7e964c commit dcb53f7
Showing 1 changed file with 3 additions and 4 deletions.
7 changes: 3 additions & 4 deletions modules/pmi/pyext/src/restraints/saxs.py
Original file line number Diff line number Diff line change
Expand Up @@ -45,13 +45,12 @@ def __init__(self, input_objects, saxs_datafile, weight=1.0,
@param label Label for the restraint in outputs
@param maxq Maximum q value that the restraint will be evaluated at.
If set to 'standard' (the default), the following values will
be used:
be used (these values were eyeballed by comparing ALL_ATOM
calculated SAXS profiles to those calculated with the reduced
representations, so could be improved):
- For ff_type = ALL_ATOMS: 0.5
- HEAVY_ATOMS: 0.4
- CA_ATOMS and RESIDUES: 0.15
These values were eyeballed by comparing ALL_ATOM calculated
SAXS profiles to those calculated with the reduced
representations, so could be improved.
"""
# Get all hierarchies.
hiers = IMP.pmi.tools.input_adaptor(input_objects,
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