On 26 June 2011 21:18, Chris Morley <c.mor...@gaseq.co.uk> wrote: > On 25/06/2011 20:08, A. Heifets wrote: >> How do I add multiple properties to SDF output? As you can see below, >> it seems that only the last property is recognized if I try putting >> multiple --property options, whereas if I try to set multiple property >> pairs, they get concatenated together. > > The way commandline options work at present means that there can be one > one of each name; as you have found you cannot have multiple --property > options. The name of the property also cannot contain spaces, although > the value can. > > Multiple properties can be added from C++ or scripting, and from the > command line multiple descriptors can be added as properties, e.g. > --add MW inchi formula > > To make the --property option to be more versatile, the development code > will now also accept forms like: > --property prop1=value1; multi word prop2 = multi word value2; > > i.e. multiple properties can be added and the attributes and the values > can contain spaces. It does mean that properties containing '=' or ';' > cannot be entered with this option. Is that likely to be a problem?
I'd say that more of a problem is that ";" is an end of statement separator in Linux, but presumably the whole thing could be enclosed in quotes? > Chris > > > > > > ------------------------------------------------------------------------------ > All of the data generated in your IT infrastructure is seriously valuable. > Why? It contains a definitive record of application performance, security > threats, fraudulent activity, and more. Splunk takes this data and makes > sense of it. IT sense. And common sense. > http://p.sf.net/sfu/splunk-d2d-c2 > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > ------------------------------------------------------------------------------ All of the data generated in your IT infrastructure is seriously valuable. Why? It contains a definitive record of application performance, security threats, fraudulent activity, and more. Splunk takes this data and makes sense of it. IT sense. And common sense. http://p.sf.net/sfu/splunk-d2d-c2 _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
