Issues

• Update CCP4i2 interface

  enhancement
  rigdenlab/ample#80 · Filter by author hlasimpk opened on Jul 23, 2020
  1

  

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

  rigdenlab/ample#64 · Filter by author linucks opened on Apr 26, 2019

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

  bug
  rigdenlab/ample#58 · Filter by author 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

  rigdenlab/ample#35 · Filter by author linucks opened on Jan 24, 2018

• Fix printing of cluster_score_type when using tm scoring

  rigdenlab/ample#19 · Filter by author linucks opened on May 26, 2017

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

  rigdenlab/ample#17 · Filter by author DanielRigden opened on Apr 18, 2017

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

  rigdenlab/ample#14 · Filter by author linucks opened on Mar 25, 2017

• Check for missing header information in native_pdb

  bug
  rigdenlab/ample#13 · Filter by author linucks opened on Mar 25, 2017
  1

• Use cctbx for getting sequence in util/spicker.py

  enhancement
  rigdenlab/ample#12 · Filter by author linucks opened on Mar 25, 2017
  

• Parallelise the truncation/subclustering abinitio ensembling stage

  enhancement
  rigdenlab/ample#11 · Filter by author linucks opened on Mar 25, 2017

• Add integration tests that use the spicker_tm and spicker_omp binaries

  enhancement
  rigdenlab/ample#10 · Filter by author linucks opened on Mar 25, 2017