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Revision history for Perl extension MinimalPDB.
v0.01 Sat Apr 11 23:16:34 2009
- original version; created by h2xs 1.23 with options
-b 5.8.0 -AX MinimalPDB
v0.02 Mon Jul 13 11:46:13 PDT 2009
- The standard three-letter residue identifiers in ATOM and HETATM
records may now contain four letters, making use of the unused
column after the normal three-letter ATOM code. This change doesn't
effect the parsing or printing of standard PDB files and allows the
parsing and printing of nonstandard ones using four-letter residue
identifiers.
v0.03 Mon Jul 27 05:46:12 PDT 2009
- PDB files are required to have 80 characters per line, but many
programs fail to pad lines with spaces to make 80 characters. PDB
records with fewer than six characters per line can now be handled
"correctly," allowing compatibility with the badly formatted PDB
files produced by some programs.
v0.04 Mon Sep 13 14:34:20 PDT 2010
- Some programs, notably scwrl4, include only spaces for
ATOM_TEMPFACTOR fields which should instead be zero if undefined.
This field, when only a space, was converted to an empty string when
processed by &parse_pdb_record. But formatting these records with
&format_pdb_record resulted in an "argument isn't numeric in
formline" error. Now ATOM_TEMPFACTOR fields with only spaces are
converted to the string "0.00", the correct value for when the
temperature factor is undefined.
v0.05 Sun Aug 21 20:59:13 PDT 2011
- &parse_pdb_record returns an empty list if given an undefined value,
a previously handled case. Minor revisions to documentation and
code slightly improve clarity and efficiency.