Re: [Open Babel] obfit segmentation fault (!)

2010-10-28 Thread Chris Morley
On 15/10/2010 10:13, Jean-Paul Ebejer wrote: > Hi there, > > I am using Openbabel 2.2.3 (on Ubuntu) and get a dreaded segmentation > fault: > > x...@yyy:~/test/1hvy$ obfit > > "[H]OC(C(C(C(N([H])C(c1sc(N(C([H])([H])[H])C(c2c([H])c([H])c3nc(C([H])([H])[H])n([H])c(=O)c3c2[H])([H])[H])c([H])c

[Open Babel] PIRAMID 1.0.0: Shape-based alignment of molecules

2010-10-28 Thread Hans De Winter
Dear, Silicos NV is pleased to announced today the release of its new open source software tool called PIRAMID under the General Public License (GPL) v2. PIRAMID has been written on top of Open Babel's C++ API. PIRAMID is a shape-based alignment tool for the alignment of pairs of molecule

Re: [Open Babel] [OpenBabel-Devel] Version 2.3.0 Release Candidate 1

2010-10-28 Thread Jiahao Chen
The builds are successful on my two test machines (caspian, ubuntu-x64 and spin, macosx-10.6.4/fink) but not all the tests completed successfully. caspian has swig 1.3.40. When configuring with cmake, it complains that 2.0.0 exactly is needed. The compile otherwise completes without compiling the