New InChI just released.
---------- Forwarded message ---------- From: Alan McNaught <mcnau...@ntlworld.com> Date: 6 October 2016 at 09:30 Subject: InChI Software version 1.05 To: Achim Zielesny <achim.ziele...@fh-gelsenkirchen.de>, Albert Sickmann <i...@isas.de>, Alex Clark <acl...@molmatinf.com>, Alex Tropsha <alex_trop...@unc.edu>, Alexander Kos <alexander....@akosgmbh.de>, Aniko Simon <aniko.si...@simbiosys.com>, Chris Reed <chris.r...@ucr.edu>, Christopher Southan <cdsout...@hotmail.com>, Dana Roth <dzr...@library.caltech.edu>, David Wild <djw...@indiana.edu>, Dusanka Janezic <d...@cmm.ki.si>, Egon Willighagen <egon.willigha...@gmail.com>, Gregor Fels <f...@upb.de>, Henry Rzepa <h.rz...@ic.ac.uk>, Ian Bruno <br...@ccdc.cam.ac.uk>, Igor Tetko <ite...@eadmet.com>, Iwona Weidlich <iweid...@coddes.com>, Jan Holst Jensen <j...@biochemfusion.com>, Jeremy Frey <j.g.f...@soton.ac.uk>, Jiri Jirat <jiri.ji...@vscht.cz>, John Irwin <jir...@gmail.com>, Jonathan Goodman <jm...@cam.ac.uk>, Leah Rae McEwen <l...@cornell.edu>, Mark Musen <mu...@stanford.edu>, Martin Braendle <braen...@chem.ethz.ch>, Martin Post <julia.mar...@xs4all.nl>, Michael Conley <mcon...@leadscope.com>, Mitch Miller <mitch.mil...@thinkscience.us>, Muthukumarasamy Karthikeyan <karthi...@gmail.com>, Nicole Jung <nicole.j...@kit.edu>, Noel O'Boyle <baoille...@gmail.com>, Oliver Fiehn <ofi...@ucdavis.edu>, Peter Johnson <a.peter.johns...@ntlworld.com>, Peter Strickland <p...@iucr.org>, Robert Belford <rebelf...@ualr.edu>, Robert Glen <rc...@cam.ac.uk>, Robert Lancashire <robert.lancash...@uwimona.edu.jm>, Roberto Cao <c...@fq.uh.cu>, Roger Sayle <ro...@nextmovesoftware.com>, Rudy Potenzone <r...@sciencepoint.net>, Stephen Creager <scre...@clemson.edu>, Steve Bachrach <sbachr...@trinity.edu>, Thomas Engel <thomas.en...@cup.uni-muenchen.de>, Tony Hopfinger <hopfi...@gmail.com>, Ulrich Jordis <ulrich.jor...@tuwien.ac.at>, Wolf-Dietrich Ihlenfeldt <w...@xemistry.com>, Wolfram Koch <w.k...@gdch.de> Dear Colleagues InChI Software version 1.05 is now available for review, from the InChI Trust website: http://www.inchi-trust.org/downloads105/ Enhancements in this new version include the following: support for chemical elements numbers 113-118; experimental support of InChI/InChIKey for simple regular single-strand polymers; experimental support of large molecules containing up to 32767 atoms; ability to read necessary for large molecule input files in Molfile V3000 format; provisional support for extended features of Molfile V3000; significant updating of the InChI API Library; in particular, a novel API procedure for direct conversion of Molfile input to InChI and a new set of API procedures for both low and high-level operations (InChI extensible interface, IXA); significant modification of the source code in order to ensure multi-thread execution safety of the InChI Library; several minor bugfixes/changes; several convenience options added to the inchi-1 executable. Comments by Friday November 4th, please. Best wishes Alan ************************************************************* Dr A D McNaught Secretary, InChI Trust www.inchi-trust.org Secretary, IUPAC Division VIII InChI Subcommittee http://iupac.org/who-we-are/divisions/division-details/?body_code=802 8 Cavendish Avenue Cambridge CB1 7US, UK e-mail: a...@inchi-trust.org ************************************************************* ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, SlashDot.org! http://sdm.link/slashdot _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
