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HISTORY
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HISTORY
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V2.0.1 Fixed bug with ReplaceSideChain() with raw atom names.
Added #define to OpenOrPipe() for systems that don't support
popen()
V2.0.2 Fixed bug in ReadPDB() handling raw atom names with
multiple occupancies
V2.0.3-4 Other bugs fixed related to V2.0.2
V2.0.5 Fixed bug in PDB2Seq.c - undercalculated chain length
by one for CA-only chains
V2.0.6 Fixed a problem in ReadPDB/StoreOccRankAtom() when a lower
occupancy atom has (erroneously) been set to occupancy
of zero - this was previously always treated as being an
occupancy of 1
V2.0.7 Fixed behaviour of HaddPDB() which returned if there was a
missing carbonyl carbon. Now simply reports the fact. Also
fixed so that a hydrogen bond cannot be identified with a
Proline as a backbone nitrogen donor. Also if there are
missing antecedent atoms it used simply to say no HBond now
does a distance check and ignores the angle (which can't be
calculated). Also fixed error message printing Added GlyCB
code. This adds (and removes) pseudo-CB atoms to glycines for
use when structures are being orientated into a common frame
of reference using a CB.
Added RemoveAlternates() to ReadPDB.c This is called by the
ReadPDB() and ReadPDBAtoms() routines to do a full cleanup on
alternate atom locations. Also added prototypes for popen()
and pclose() to ReadPDB.c and openorpipe.c to stop compiler
warnings (esp on 64bit machines)
New routines IsMCDonorHBonded() and IsMCAcceptorHBonded() in
hbonds.c
Modified ExtractZonePDB.c so that it can take non-exact zones
Added 'ok' to the MEMLIST and added safeleaks() to safemem.c
V2.0.8 Added affinealignuc() and CalcMDMScoreUC() to align.c
V2.0.9 Added support for Unix compress'd files to ReadPDB. Fixes to
popen() and pclose() prototypes for MAX OS/X
Added ReadWholePDBAtoms()
V2.0.10 Changes to DupeResiduePDB.c FindAtomWildcardInRes.c
BuildAtomNeighbourPDBList.c
V2.0.11 Changes to StripWatersPDB.c ReadPDB.c array3.c
--------------------------------------------------------------------
V2.1.1 Added StructurePDB()
--------------------------------------------------------------------
V3.0 Added support for multi-character chain names and pdbml
format. PDBML support requires the Libxml2 library,
http://xmlsoft.org. Renamed BiopLib functions adding a
prefix, 'bl'.
Deprecated functions that accepted or returned the chain
label as a single character and function names without the
'bl' prefix are supported.
Documentation for BiopLib is generated using Doxygen (version
1.8.0 or later), http://www.doxygen.org.
Unit tests added for new features. Unit tests require the
check library, http://check.sourceforge.net.
V3.1 Now uses adddoxy.pl to build overview documentation
automatically