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@AndrewCRMartin AndrewCRMartin released this Aug 16, 2018 · 43 commits to master since this release

checkpdb is a new tool for checking a PDB file. Currently it just checks for:

  • all backbone atoms are present
  • residues within a chain are connected

The idea is to expand this with lots more features.

Assets 2

@AndrewCRMartin AndrewCRMartin released this Aug 3, 2018 · 48 commits to master since this release

pdbatomselect does the same job as pdbatomsel but the style of calling is now more compatible with other programs. Rather than specifying atoms as

pdbatomsel -N -CA -C -O

it uses

pdbatomselect -a N,CA,C,O

The install provides a symbolic link to the old names (pdbatomsel and atomsel) which behave in the old way for backwards compatibility.

Assets 2

@AndrewCRMartin AndrewCRMartin released this Jul 12, 2018 · 50 commits to master since this release

  • Added pdbfit
  • Added sixft
  • Added -x option to pdbsolv
  • Update to BiopLib V3.8
  • Removed non-working git submodules
  • Fixed ./makemake.pl -bioplib when working from a git clone
  • Added script to install all data from BiopLib if not present
Assets 2
Nov 21, 2017

V1.7

Added -x option to pdbsolv and updated comments in pdbmakepatch
Nov 10, 2017

V1.6

Updated makemake for bioplib V3.7

@AndrewCRMartin AndrewCRMartin released this Oct 24, 2017 · 63 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
Assets 2

@AndrewCRMartin AndrewCRMartin released this Aug 8, 2017 · 75 commits to master since this release

  • Added pdbsymm and chaincontacts programs
  • Added some more builddist config files
  • Rewrote distmat
Assets 2

@AndrewCRMartin AndrewCRMartin released this Aug 11, 2016 · 91 commits to master since this release

Added pdbsecstr for secondary structure calculation
Requires Bioplib V3.5

Assets 2

@AndrewCRMartin AndrewCRMartin released this Feb 17, 2016 · 126 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

Assets 2

@AndrewCRMartin AndrewCRMartin released this Feb 15, 2016 · 127 commits to master since this release

The sub-directory needed when running

makemake.pl -bioplib

wasn't created.

Assets 2
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