I tried to do this but I get a 500 Internal Server Error when I try to use the 'Add new' link here:
http://sourceforge.net/tracker/?atid=428740&group_id=40728&func=browse Quoting Noel O'Boyle <[email protected]>: > Please go ahead - it's the only way to ensure that issues like this > don't fall between the cracks... > > On 3 March 2011 10:50, Douglas Houston <[email protected]> wrote: >> OK, just to follow up on this, if no-one has any objections I will >> submit a bug report. >> >> >> Quoting "Mathias W." <[email protected]>: >> >>> Yeah, thats because I'm stupid - I didn't recognize that all these >>> numbers were recognized as text :-( >>> >>> 2010/12/3 Douglas Houston <[email protected]>: >>>> That's strange, if I sum everything in the charge column in your >>>> molecule_H.mol2 file, I get -9.0 ... >>>> >>>> >>>> >>>> Quoting "Mathias W." <[email protected]>: >>>> >>>>> Servus, >>>>> >>>>> I get both times over all charge zero (with ob-2.2.3) >>>>> >>>>> (molecule_H2.mol2 was produced with -h) >>>>> >>>>> >>>>> 2010/12/3 Douglas Houston <[email protected]>: >>>>>> >>>>>> Hi all, >>>>>> >>>>>> Just wondering if anyone got a chance to test this molecule? I want to >>>>>> make sure it's not just my installation ... >>>>>> >>>>>> cheers, >>>>>> >>>>>> Doug >>>>> >>>>> >>>>> >>>>> -- >>>>> Mathias >>>>> >>>> >>>> >>>> >>>> >>>> _____________________________________________________ >>>> Dr. Douglas R. Houston >>>> Scientific Programme Coordinator / Research Associate >>>> Room 3.23 >>>> Institute of Structural and Molecular Biology >>>> Michael Swann Building >>>> King's Buildings >>>> University of Edinburgh >>>> Edinburgh, EH9 3JR, UK >>>> Tel. 0131 650 7358 >>>> >>>> -- >>>> The University of Edinburgh is a charitable body, registered in >>>> Scotland, with registration number SC005336. >>>> >>>> >>> >>> >>> >>> -- >>> Mathias Weigt >>> >>> Institute of Pharmaceutical Chemistry >>> University of Bonn >>> >>> An der Immenburg 4 >>> 53121 Bonn >>> Germany >>> >>> Phone: +49/228/73-5240 >>> >>> ------------------------------------------------------------------------------ >>> Increase Visibility of Your 3D Game App & Earn a Chance To Win $500! >>> Tap into the largest installed PC base & get more eyes on your game by >>> optimizing for Intel(R) Graphics Technology. Get started today with the >>> Intel(R) Software Partner Program. Five $500 cash prizes are up for grabs. >>> http://p.sf.net/sfu/intelisp-dev2dev >>> _______________________________________________ >>> OpenBabel-discuss mailing list >>> [email protected] >>> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss >>> >> >> >> >> >> _____________________________________________________ >> Dr. Douglas R. Houston >> Scientific Programme Coordinator / Research Associate >> Room 3.23 >> Institute of Structural and Molecular Biology >> Michael Swann Building >> King's Buildings >> University of Edinburgh >> Edinburgh, EH9 3JR, UK >> Tel. 0131 650 7358 >> >> -- >> The University of Edinburgh is a charitable body, registered in >> Scotland, with registration number SC005336. >> >> >> >> ------------------------------------------------------------------------------ >> Free Software Download: Index, Search & Analyze Logs and other IT data in >> Real-Time with Splunk. Collect, index and harness all the fast >> moving IT data >> generated by your applications, servers and devices whether >> physical, virtual >> or in the cloud. Deliver compliance at lower cost and gain new business >> insights. http://p.sf.net/sfu/splunk-dev2dev >> _______________________________________________ >> OpenBabel-discuss mailing list >> [email protected] >> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss >> > > _____________________________________________________ Dr. Douglas R. Houston Scientific Programme Coordinator / Research Associate Room 3.23 Institute of Structural and Molecular Biology Michael Swann Building King's Buildings University of Edinburgh Edinburgh, EH9 3JR, UK Tel. 0131 650 7358 -- The University of Edinburgh is a charitable body, registered in Scotland, with registration number SC005336. ------------------------------------------------------------------------------ What You Don't Know About Data Connectivity CAN Hurt You This paper provides an overview of data connectivity, details its effect on application quality, and explores various alternative solutions. http://p.sf.net/sfu/progress-d2d _______________________________________________ OpenBabel-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
