PyDaylight / News: Recent posts

PyDaylight 1.0 is available for download from http://www.dalkescientific.com/PyDaylight/PyDaylight-1.0.tar.gz . For more details see the PyDaylight home page at http://www.dalkescientific.com/PyDaylight/ .

What's new in 1.0?

o decided to call it 1.0 instead of 0.9<something>

o fixed a memory leak (found by Terry Brunck)

o added support for the new features in toolkit version 4.91
- dt_molgraph(3) -> new Molecule method "molgraph()"
- dt_addh(3) and dt_suppressh(3) -> new Molecule methods
"addh(allh=True)" and "suppressh(allh=True)"
- dt_ischiral(3) -> new read-only Atom property "ischiral"
- dt_fp_similarity(3) -> new Fingerprint function "similarity(fp1,fp2,s)"
- expressions(5) -> the table "Fingerprint.expressions", mapping
Daylight's named similarity expressions into the actual expression
- dt_setbondstyle(3) -> new Depict.Depiction method
"setbondstyle(atom,bond,value)"... read more

New for 0.85:

o Added support for depictions in a Qt canvas.
NOTE: during implementation we found bugs in the older
depictions which have not yet been fixed.

o Added a VectorFont mixin to use Daylight's vector fonts instead of
the native font of the given rendering package.
NOTE: the text, with or without this mixin, still are
not aligned correctly

o fingerprint functions now work. (Fixed bug dealing with embedded
NUL (ASCII 0) characters in the string.)... read more

October 15
Dalke Scientific Software, LLC today announced the release of version 0.8 of their PyDaylight package. PyDaylight is a rapid application development library for chemical informatics. Written for the Python programming langauge, it is based on the Daylight toolkits and adds high-level interfaces such as objects, exceptions, iterators, and depiction libraries. This release adds modules for reaction processing, program objects, and PDF depictions. ... read more

The Depict.PDFCallback modules includes a
PDFCallback class, which can be used to generate
PDF output using ReportLab.