Re: [Open Babel] segfault with fingerprint index search

2011-02-09 Thread Chris Morley
On 07/02/2011 12:05, Andrew Dalke wrote: Can someone help me understand what's wrong with my searches? % babel Compound_09425001_0945.sdf.fs results.sdf '-sN#Cc1c1C#N' -at0.6 Segmentation fault This is all with a version of Babel I compiled from version control (since I want the

Re: [Open Babel] segfault with fingerprint index search

2011-02-09 Thread Noel O'Boyle
Hi Andrew, Naturally, there are some differences between the processing of command line options by bash and Windows cmd prompt. Have you tried the various combinations such as -swhatever instead of '-swhatever', and avoiding the use of the hash, to figure out where the problem is? - Noel On 7

Re: [Open Babel] Python Qt and openbabel - atomicmass error

2011-02-09 Thread zio
yes, thank you, with version 2.3.0 all works fine. But, sadly, all binary packages in repositories are for 2.2.3 version (even for 11.04 Ubuntu) and they are unusable :( -- View this message in context:

Re: [Open Babel] Python Qt and openbabel - atomicmass error

2011-02-09 Thread Geoffrey Hutchison
But, sadly, all binary packages in repositories are for 2.2.3 version (even for 11.04 Ubuntu) and they are unusable :( Well, I think you should request a package upgrade. :-) I believe the problem is that the current Ubuntu package maintainer has been busy at a new job. But we're glad to know

Re: [Open Babel] segfault with fingerprint index search

2011-02-09 Thread Andrew Dalke
On Feb 9, 2011, at 3:12 PM, Noel O'Boyle wrote: Have you tried the various combinations such as -swhatever instead of '-swhatever', and avoiding the use of the hash, to figure out where the problem is? Yes. % babel Compound_09425001_0945.sdf.fs results.sdf -sC -at0.6 Segmentation fault