V1.5 Various enhancements

@AndrewCRMartin AndrewCRMartin released this Oct 24, 2017 · 9 commits to master since this release

  • pdbhbond: updated output format
  • Removed unneeded include from pdblistss
  • Updated pdbpatchnumbering to skip up to 5 residues at the start of the chain
  • Bumped to require Bioplib V3.6
  • Added builddist for pdbaddhet
  • Added builddist for pdbtorsions
  • Added builddist for pdbcheckforres
  • Added builddist for pdbhbond
  • Added builddist for pdbsolv
  • Added builddist for pdbchain
  • Added builddist for pdbpatchnumbering
  • Added builddist for pdbhbond

V1.4 Added pdbsymm and chaincontacts

@AndrewCRMartin AndrewCRMartin released this Aug 8, 2017 · 21 commits to master since this release

  • Added pdbsymm and chaincontacts programs
  • Added some more builddist config files
  • Rewrote distmat

V1.3 - added secondary structure calculation

@AndrewCRMartin AndrewCRMartin released this Aug 11, 2016 · 37 commits to master since this release

Added pdbsecstr for secondary structure calculation
Requires Bioplib V3.5

Bioplib fix for pdbgetzone

@AndrewCRMartin AndrewCRMartin released this Feb 17, 2016 · 72 commits to master since this release

Fix in BiopLib to fix bug in pdbgetzone which was core dumping when the zone started with the first residue in the file.

Now makemake.pl required BiopLib V3.4.2

Fixed makemake bug

@AndrewCRMartin AndrewCRMartin released this Feb 15, 2016 · 73 commits to master since this release

The sub-directory needed when running

makemake.pl -bioplib

wasn't created.

Enhancements and header support

@AndrewCRMartin AndrewCRMartin released this Jun 29, 2015 · 98 commits to master since this release

This release requires BiopLib V3.3. It provides significantly enhanced header support - where possible, all tools now retain headers and correctly update CONECT records. Some additional tools and bugfixes too.

New version of pdbtorsions

@AndrewCRMartin AndrewCRMartin released this Nov 28, 2014 · 144 commits to master since this release

pdbtorsions has been rewritten. It now correctly handles multiple chains and assigns the omega angle to the following residue instead of the preceding residue. The header format has also changed.

The old omega angle behaviour and the old header format can be obtained by using the -o flag or by naming the executable 'torsions' instead of 'pdbtorsions'.

The -m option (provided specifically for one application) has now been dropped.

BiopTools initial release

@AndrewCRMartin AndrewCRMartin released this Nov 7, 2014 · 150 commits to master since this release

A set of tools using BiopLib routines. Initial release.