Speaking about formats - would it be useful to add marvin (*.mrv) to mol conversion (in both directions)? I'm writing this anyway but maybe it would be useful as a part of RDKit.
On Sat, Jan 25, 2014 at 3:30 PM, Igor Filippov <[email protected]> wrote: > Sounds good, thank you! > > Igor > > > On Sat, Jan 25, 2014 at 9:25 AM, Greg Landrum <[email protected]> > wrote: >> >> Hi Igor, >> >> The V3000 support is a new feature, so it will wait until the 2014_03_1 >> release. >> >> The V3000 writer support that Jan contributed to is now part of the trunk >> in github, if you want to give it a try now. >> >> -greg >> >> >> >> On Sat, Jan 25, 2014 at 3:16 PM, Igor Filippov <[email protected]> >> wrote: >>> >>> Are you planning V3000 support included in this release or is it slated >>> for a later date? >>> >>> Igor >>> >>> >>> On Sat, Jan 25, 2014 at 1:42 AM, Greg Landrum <[email protected]> >>> wrote: >>>> >>>> Dear all, >>>> >>>> I'm just about done with the patch release to fix the PDB bond-order >>>> perception bug and am looking for any last minute feedback/suggestions. >>>> >>>> The bug fixes that will be included in the release are described here: >>>> https://github.com/rdkit/rdkit/issues?milestone=6 >>>> >>>> And this is the branch with the changes: >>>> https://github.com/rdkit/rdkit/tree/patch_Release_2013_09_2 >>>> >>>> I'll do the new release tomorrow or Monday morning unless I hear >>>> otherwise. >>>> >>>> Best, >>>> -greg >>>> >>>> >>>> >>>> ------------------------------------------------------------------------------ >>>> CenturyLink Cloud: The Leader in Enterprise Cloud Services. >>>> Learn Why More Businesses Are Choosing CenturyLink Cloud For >>>> Critical Workloads, Development Environments & Everything In Between. >>>> Get a Quote or Start a Free Trial Today. >>>> >>>> http://pubads.g.doubleclick.net/gampad/clk?id=119420431&iu=/4140/ostg.clktrk >>>> _______________________________________________ >>>> Rdkit-discuss mailing list >>>> [email protected] >>>> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >>>> >>> >> > > > ------------------------------------------------------------------------------ > CenturyLink Cloud: The Leader in Enterprise Cloud Services. > Learn Why More Businesses Are Choosing CenturyLink Cloud For > Critical Workloads, Development Environments & Everything In Between. > Get a Quote or Start a Free Trial Today. > http://pubads.g.doubleclick.net/gampad/clk?id=119420431&iu=/4140/ostg.clktrk > _______________________________________________ > Rdkit-discuss mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss > ------------------------------------------------------------------------------ CenturyLink Cloud: The Leader in Enterprise Cloud Services. Learn Why More Businesses Are Choosing CenturyLink Cloud For Critical Workloads, Development Environments & Everything In Between. Get a Quote or Start a Free Trial Today. http://pubads.g.doubleclick.net/gampad/clk?id=119420431&iu=/4140/ostg.clktrk _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
