Commits

Breadcrumbs

History for

onmaster

User selector

All users

All time

Commit History

Commits on Feb 6, 2017

• Merge pull request #623 from andreasprlic/fix622

  Show description for 16945e7
  andreasprlic

  authored
  16945e7

  Copy full SHA for 16945e7

Commits on Jan 21, 2017

• Now catching empty arrays in getCentroid

  josemduarte

  committed
  80a3eaa

  Copy full SHA for 80a3eaa

• Less verbose logging in AsaCalculator

  josemduarte

  committed
  fc2d368

  Copy full SHA for fc2d368

• Fix for #631

  josemduarte

  committed
  63958d4

  Copy full SHA for 63958d4

Commits on Jan 12, 2017

• The fix to the insertion code issue to is use the ResidueNumber object as the hash key instead of a string made from the residue number. Fixes bug where structures with insertion codes were likely…

  Show description for 387946f
  

  Matt Larson

  committed
  387946f

  Copy full SHA for 387946f

Commits on Jan 11, 2017

• adding new size method to CCD, as an easy count for the nr. of ChemComps.

  andreasprlic

  committed
  498fe51

  Copy full SHA for 498fe51

• and another shortcut for lpeptidelinking

  andreasprlic

  committed
  219d39b

  Copy full SHA for 219d39b

• adding similar lookup table to ResidueType

  andreasprlic

  committed
  309f17a

  Copy full SHA for 309f17a

• now without (or few) loops

  andreasprlic

  committed
  3f2c4ac

  Copy full SHA for 3f2c4ac

Commits on Jan 10, 2017

• removing string quotation characters should not happen at this place.

  andreasprlic

  committed
  ad751de

  Copy full SHA for ad751de

Commits on Dec 22, 2016

• Issue 330: fixes for PDB Parser,

  Show description for 121aa1d
  

  Matt Larson

  committed
  121aa1d

  Copy full SHA for 121aa1d

Commits on Nov 23, 2016

• Adding non-standard sg check to pdb parser

  josemduarte

  committed
  617d6ec

  Copy full SHA for 617d6ec

• Fixed bug: NPE for CrystalBuilder on 4hhb. Moved TestCrystalBuilder to integrationtest.

  josemduarte

  committed
  220737a

  Copy full SHA for 220737a

• Now using the new fields from CrystalBuilder

  josemduarte

  committed
  4eb1a62

  Copy full SHA for 4eb1a62

Commits on Nov 22, 2016

• Some extra rare fields in atom_sites

  josemduarte

  committed
  c2854d6

  Copy full SHA for c2854d6

• Fixing npe introduced in last commit

  josemduarte

  committed
  bf5399a

  Copy full SHA for bf5399a

• Implementing new crystallographic metadata fields.

  josemduarte

  committed
  cc19d5e

  Copy full SHA for cc19d5e

• Javadoc correction

  josemduarte

  committed
  cebd7f0

  Copy full SHA for cebd7f0

• Implementing parsing of atom_sites category in mmcif parser/consumer

  josemduarte

  committed
  95077b8

  Copy full SHA for 95077b8

Commits on Nov 21, 2016

• Merge pull request #600 from sbliven/fix557

  Show description for 3b093b9
  andreasprlic

  authored
  3b093b9

  Copy full SHA for 3b093b9

Commits on Nov 10, 2016

• Merge pull request #597 from sbliven/fix560

  Show description for d347689
  sbliven

  authored
  d347689

  Copy full SHA for d347689

• Allow partial residue ranges (#557)

  Show description for 485e2c5
  sbliven

  committed
  485e2c5

  Copy full SHA for 485e2c5

Commits on Nov 7, 2016

• Update to biojava 5.0 ligand and chain model

  Show description for 019fa96
  sbliven

  committed
  019fa96

  Copy full SHA for 019fa96

Commits on Nov 2, 2016

• Moved addGroupToStructure methods to StructureTools

  Show description for 820a924
  sbliven

  committed
  820a924

  Copy full SHA for 820a924

Commits on Oct 26, 2016

• Add some handling of "?" in seq align position. E.g. for 5dn6

  abradle

  committed
  d7f9c6d

  Copy full SHA for d7f9c6d

Commits on Oct 3, 2016

• Fix unit tests

  Show description for 2d57e54
  sbliven

  committed
  2d57e54

  Copy full SHA for 2d57e54

• Ignore waters when calculating ligand proximity

  sbliven

  committed
  dc4abd9

  Copy full SHA for dc4abd9

• Reducing DEFAULT_LIGAND_PROXIMITY_CUTOFF to 5A

  Show description for 87c0238
  sbliven

  committed
  87c0238

  Copy full SHA for 87c0238

• Show ligands by proximity in CE-Symm

  Show description for b66d271
  sbliven

  committed
  b66d271

  Copy full SHA for b66d271

• Add StructureTools.getLigandsByProximity

  Show description for 931c29b
  sbliven

  committed
  931c29b

  Copy full SHA for 931c29b

• Include Ligands in residue selections that fall within 7A.

  Show description for 819c388
  sbliven

  committed
  819c388

  Copy full SHA for 819c388

• Add model-specific iteration over Groups and Atoms

  sbliven

  committed
  ffc4a53

  Copy full SHA for ffc4a53

Commits on Sep 19, 2016

• TestSuperPosition now tests rmsd of non-centered points.

  Show description for 1d43a42
  josemduarte

  committed
  1d43a42

  Copy full SHA for 1d43a42

• Merge branch 'svdsuperimpIssue' into superpose

  lafita

  committed
  cc79186

  Copy full SHA for cc79186

• Documentation and minor fix

  lafita

  committed
  a8828ca

  Copy full SHA for a8828ca

Pagination

Previous

Next