Dear Pascal,
In this webpage http://www.chemspider.com/Chemical-Structure.392223.html, the
SMILES of the protonated imidazole is shown as “C1=C[NH+]=CN1”.
Could you help to comment whether babel can produce this version of SMILES, and
which version is better (or correct) ?
Best wishes,
Jiaguo
From: Pascal Muller-3 [via Open Babel]
Sent: Thursday, May 15, 2014 3:46 PM
To: Jiaguo
Subject: Re: The SMILES of Hip (protonated Histine) is wrong ?
Hi,
Could you help to comment on how to obtain OpenBabel v2.2.3 binaries on
the latest CentOS 5 and 6 ?
I compiled v2.2.3 like the latest version - or, well, following the INSTALL
file instructions (scientific linux 6.1). The compilation steps changed
somewhere between the release (i.e. make, and not yet cmake, for 2.2.3)...
It would be great if you would comment on the procedure how to get a full
static build on linux for the v2.2.3 version ! I mean, the “static build”
options appeard after 2010, while v2.2.3 was from 2009.
http://ehc.ac/p/openbabel/mailman/message/26441509/
http://openbabel.org/wiki/CMake#Static_builds
Sorry, for the static build option, I don't know, I never used it.
But the bug (if there is really one) correction may be quick - if someone
competent has time for it. I think it will be much better to go for the last
version.
Best,
Pascal
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