PyDaylight turns the Daylight toolkit into a rapid application developmentsystem for chemical information by providing a full Python interface,including a true object layer, iterators, exceptions and useful libraries.
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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)" o still supports toolkit version 4.8x if that's what you have o v4.91 removed support for the monomer toolkit. PyDaylight supports the monomer toolkit only when build for 4.8x (dayswig level only).
New for 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)" o still supports toolkit version 4.8x if that's what you have o v4.91 removed support for the monomer toolkit. PyDaylight supports the monomer toolkit only when built for 4.8x (dayswig level only).
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