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_N in filenames trips up CRYSTALS

Status: Open.

#291 In ChemCryst/crystals;

· richardicooper opened on Jul 11, 2025

Stored value of Flack x trips up Validate script

Status: Open.

#255 In ChemCryst/crystals;

· richardicooper opened on Oct 20, 2021

Testing for import utils

enhancementNew feature or requestNew feature or request

Status: Open.

#190 In ChemCryst/crystals;

· richardicooper opened on Jun 25, 2020

Auto generated H RIDE instructions ignore constraints on connected atom (e.g. if on two-fold)

Status: Open.

#189 In ChemCryst/crystals;

· richardicooper opened on Jun 24, 2020

Neutron CIF F000 - rounded to nint as if it were in electrons.

bugSomething isn't workingSomething isn't working

Status: Open.

#170 In ChemCryst/crystals;

· richardicooper opened on May 4, 2020

Add residue cycling to allocate parts script window

enhancementNew feature or requestNew feature or request

scripts

Status: Open.

#166 In ChemCryst/crystals;

· richardicooper opened on Apr 22, 2020

Export res or ins for SHELX users when there is no reflection data

enhancementNew feature or requestNew feature or request

Status: Open.

#165 In ChemCryst/crystals;

· richardicooper opened on Apr 19, 2020

Add isotropic atom to U(IJ) restraint

enhancementNew feature or requestNew feature or request

Status: Open.

#26 In ChemCryst/crystals;

· pascal22p opened on Nov 19, 2018

Output after twinned refinement causes CheckCIF alerts

enhancementNew feature or requestNew feature or request

questionFurther information is requestedFurther information is requested

Status: Open.

#11 In ChemCryst/crystals;

· richardicooper opened on Oct 30, 2018

eadp restraint wrongly converted from res on isotropic atom

bugSomething isn't workingSomething isn't working

shelx2cry

Status: Open.

#6 In ChemCryst/crystals;

· pascal22p opened on Oct 26, 2018

occupancy close to zero

Status: Open.

#4 In ChemCryst/crystals;

· pascal22p opened on Oct 25, 2018