Re: [Open Babel] Babel Multiple Input Files

2011-12-05 Thread Noel O'Boyle
I don't know if Open Babel supports joining fs files, so joining the sdf may be your only choice. Chris? On 5 December 2011 15:20, Jochen Schreiber joc...@googlemail.com wrote: One question: Sholud i join the fs Files or the sdf Files and create the fs File on the joined sdf Files? What is

[Open Babel] Openbabel Memory Usage

2011-12-05 Thread icdi
Dear all, I know there is some memory restrict in the Openbabel when doing the conversion. My question is can I enlarge the memory restrict to get my large sdf file (contains 25000 molecules) converted? Now I can only convert 4057 of them. Thanks! -- View this message in context:

[Open Babel] Open Babel 2.3.1

2011-12-05 Thread Dhingra, Anish *
Hello, Is the latest version of Open Babel 2.3.1 Windows 7 64-bit compatible? Thank You, Bobby Dhingra Anish (Bobby) Dhingra FDA Office of Information Management (contractor) IT Governance/Enterprise Architecture Mobile: (202) 527-1782

[Open Babel] OBDotNet : Integration to intranet aspx web pages ?

2011-12-05 Thread David Gauthier
Good morning, I am writing in regards to OBDotNet and the whole OpenBabel family tools. First of all, I am not a computer programmer, but since I can’t find any help around (and couldn’t find any clear answers on the web), I am taking the chance to writing to you. I have a master degree in

Re: [Open Babel] InChI v 1.04 and CML to InChI conversion

2011-12-05 Thread Chris Morley
On 04/12/2011 23:59, Ken Smith wrote: I noticed that version 1.04 of the InChI software has removed the capability to generate InChIs directly from CML. Does Openbabel defer this functionality to the v 1.03 InChI code at the moment? Openbabel has never used the InChI software in the

Re: [Open Babel] Openbabel Memory Usage

2011-12-05 Thread Chris Morley
On 29/11/2011 09:35, icdi wrote: Dear all, I know there is some memory restrict in the Openbabel when doing the conversion. My question is can I enlarge the memory restrict to get my large sdf file (contains 25000 molecules) converted? Now I can only convert 4057 of them. On my Windows 7