Assets 2

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.

@AndrewCRMartin AndrewCRMartin released this Aug 3, 2018 · 5 commits to master since this release

Assets 2

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
  • 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
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 · 20 commits to master since this release

Assets 2
  • 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

@AndrewCRMartin AndrewCRMartin released this Aug 8, 2017 · 32 commits to master since this release

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

@AndrewCRMartin AndrewCRMartin released this Aug 11, 2016 · 48 commits to master since this release

Assets 2

Added pdbsecstr for secondary structure calculation
Requires Bioplib V3.5

@AndrewCRMartin AndrewCRMartin released this Feb 17, 2016 · 83 commits to master since this release

Assets 2

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

@AndrewCRMartin AndrewCRMartin released this Feb 15, 2016 · 84 commits to master since this release

Assets 2

The sub-directory needed when running

makemake.pl -bioplib

wasn't created.