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Update CCP4i2 interface

enhancement

Status: Open.

#80 In rigdenlab/ample;

· hlasimpk opened on Jul 23, 2020

Clean up mixed CamelCase and snake_case in files - eg. mrbump_util.py

Status: Open.

#64 In rigdenlab/ample;

· linucks opened on Apr 26, 2019

Check that the fasta sequence and residues in the benchmark pdb match

bug

Status: Open.

#58 In rigdenlab/ample;

· linucks opened on Aug 23, 2018

Check if we can support RFREE flags in mtz files that don't contain the word 'free' in the label

Status: Open.

#35 In rigdenlab/ample;

· linucks opened on Jan 24, 2018

Fix printing of cluster_score_type when using tm scoring

Status: Open.

#19 In rigdenlab/ample;

· linucks opened on May 26, 2017

negative sequence number start crashes spicker, at least in Concoord mode

Status: Open.

#17 In rigdenlab/ample;

· DanielRigden opened on Apr 18, 2017

Add Phase error calcualtion for all post-MR structures during benchmarking

Status: Open.

#14 In rigdenlab/ample;

· linucks opened on Mar 25, 2017

Check for missing header information in native_pdb

bug

Status: Open.

#13 In rigdenlab/ample;

· linucks opened on Mar 25, 2017

Use cctbx for getting sequence in util/spicker.py

enhancement

Status: Open.

#12 In rigdenlab/ample;

· linucks opened on Mar 25, 2017

Parallelise the truncation/subclustering abinitio ensembling stage

enhancement

Status: Open.

#11 In rigdenlab/ample;

· linucks opened on Mar 25, 2017

Add integration tests that use the spicker_tm and spicker_omp binaries

enhancement

Status: Open.

#10 In rigdenlab/ample;

· linucks opened on Mar 25, 2017