[Open Babel] OB segfault

2014-09-25 Thread Dimitri Maziuk
Hi all, for this I'm using D-Alanine from PubChem: https://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=71080 inchi string is copy-pasted from the page, the SDF is from "download 2D SDF" button. Enjoy: > $ python > Python 2.6.6 (r266:84292, Jan 22 2014, 09:42:36) > [GCC 4.4.7 20120313 (Red

[Open Babel] SVG draws unwanted extra hydrogens

2014-09-25 Thread Lee-Ping Wang
Hi there, I'm using the Python interface to OpenBabel to create 2D representations of my molecules. I'm having a great time except when it decides to draw extra hydrogens. I'm quite sure these hydrogens are not supposed to be drawn. In the attached image, the "CH" on carbon monoxide is not n

Re: [Open Babel] SVG draws unwanted extra hydrogens

2014-09-25 Thread Lee-Ping Wang
Sorry for the extra email; I'm attaching the original .xyz file that I am trying to represent in the 2D image. - Original Message - From: "Lee-Ping Wang" To: openbabel-discuss@lists.sourceforge.net Sent: Thursday, September 25, 2014 8:34:41 PM Subject: SVG draws unwanted extra hydrogens