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does anyone know of an X-based tool which allows chemical structures to be drawn from an in-line-structure (ALS) argument?
by ALS i mean the format described here:
http://pubs.acs.org.proxy.lib.ohio-stat … /ci7004687
TIA
Last edited by poopship21 (2009-11-26 16:36:24)
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I don't know about the specific file format (especially since the link you gave requires a login), but there are several chemical structure drawing programs available. Search for chem in the AUR and try some of those, maybe? Or google "linux chemical drawing" possibly?
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I'm was a bit curious and found this. Maybe something here is the AUR already:
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The link you posted prompted me for a login Couldn't find anything via google either...
Chemist myself here, but have never heard of ALS :x
However, wrt to chem drawing programs I prefer bkchem (in the aur) which supports import by SMILES (another type of line notation) and InChI. Also, bkchem being in python is easily extensible that way, but also has it's own plugin system, so shouldn't be too hard to add support if absolutely necessary (and decent with python...)
Hope this helps
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hi friends, two BIG apologies: 1) sorry, when i read at home i surf through a web proxy which gives me access to library subscriptions. 2) its SLN not ALS. why that acronym was stuck in my head i dont know,
here is the link to the public abstract: http://pubs.acs.org/doi/abs/10.1021/ci7004687
incidentaly i was amused with the notation for cyclic structures since it is reminiscent of the in-line back referencing used by at least one regex syntax
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in any case, libraries for SLN parsing and structure drawing are available, which is sufficient for generating simple apps.
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