Discussion:
[Open Babel] OpenSMARTS specification (?)
Miguel Quirós Olozábal
2017-06-30 08:45:09 UTC
Permalink
Hello.

Do you know if there is a public open specification for SMARTS language
like there is for SMILES (opensmiles.org) or the only SMARTS
specification is that provided by Daylight?

I think I have seen a webpage with an open specification for SMARTS some
time ago (or it was just some sort of proposal??) but I am not able to
find it now.

Thanks a lot for any reply,
Miguel Quirós
--
Miguel Quirós Olozábal
Departamento de Química Inorgánica. Facultad de Ciencias.
Universidad de Granada. 18071 Granada. SPAIN.
email: mquiros<at>ugr<dot>es
mquiros<arroba>ugr<punto>es
Noel O'Boyle
2017-06-30 09:12:13 UTC
Permalink
That was at opensmarts.org. We (the broader Blue Obelisk community)
should probably move it to github. The source is available still
though at https://github.com/timvdm/OpenSMARTS. If you have Sphinx
("pip install sphinx"), then you can build the web page.

- Noel
Post by Miguel Quirós Olozábal
Hello.
Do you know if there is a public open specification for SMARTS language
like there is for SMILES (opensmiles.org) or the only SMARTS
specification is that provided by Daylight?
I think I have seen a webpage with an open specification for SMARTS some
time ago (or it was just some sort of proposal??) but I am not able to
find it now.
Thanks a lot for any reply,
Miguel Quirós
--
Miguel Quirós Olozábal
Departamento de Química Inorgánica. Facultad de Ciencias.
Universidad de Granada. 18071 Granada. SPAIN.
email: mquiros<at>ugr<dot>es
mquiros<arroba>ugr<punto>es
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Miguel Quirós Olozábal
2017-06-30 09:34:42 UTC
Permalink
Thanks a lot for the info and the reference to the source!

Miguel Quirós.
Post by Noel O'Boyle
That was at opensmarts.org. We (the broader Blue Obelisk community)
should probably move it to github. The source is available still
though at https://github.com/timvdm/OpenSMARTS. If you have Sphinx
("pip install sphinx"), then you can build the web page.
- Noel
Post by Miguel Quirós Olozábal
Hello.
Do you know if there is a public open specification for SMARTS language
like there is for SMILES (opensmiles.org) or the only SMARTS
specification is that provided by Daylight?
I think I have seen a webpage with an open specification for SMARTS some
time ago (or it was just some sort of proposal??) but I am not able to
find it now.
Thanks a lot for any reply,
Miguel Quirós
--
Miguel Quirós Olozábal
Departamento de Química Inorgánica. Facultad de Ciencias.
Universidad de Granada. 18071 Granada. SPAIN.
email: mquiros<at>ugr<dot>es
mquiros<arroba>ugr<punto>es
------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
OpenBabel-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
--
Miguel Quirós Olozábal
Departamento de Química Inorgánica. Facultad de Ciencias.
Universidad de Granada. 18071 Granada. SPAIN.
email: mquiros<at>ugr<dot>es
mquiros<arroba>ugr<punto>es
Craig James
2017-07-04 18:46:45 UTC
Permalink
It would be nice to have the OpenSMILES and OpenSMARTS pages link to each
other. Or even put them on one web site.

Craig
Post by Noel O'Boyle
That was at opensmarts.org. We (the broader Blue Obelisk community)
should probably move it to github. The source is available still
though at https://github.com/timvdm/OpenSMARTS. If you have Sphinx
("pip install sphinx"), then you can build the web page.
- Noel
Post by Miguel Quirós Olozábal
Hello.
Do you know if there is a public open specification for SMARTS language
like there is for SMILES (opensmiles.org) or the only SMARTS
specification is that provided by Daylight?
I think I have seen a webpage with an open specification for SMARTS some
time ago (or it was just some sort of proposal??) but I am not able to
find it now.
Thanks a lot for any reply,
Miguel Quirós
--
Miguel Quirós Olozábal
Departamento de Química Inorgánica. Facultad de Ciencias.
Universidad de Granada. 18071 Granada. SPAIN.
email: mquiros<at>ugr<dot>es
mquiros<arroba>ugr<punto>es
------------------------------------------------------------
------------------
Post by Miguel Quirós Olozábal
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
OpenBabel-discuss mailing list
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
------------------------------------------------------------
------------------
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engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
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--
---------------------------------
Craig A. James
Chief Technology Officer
eMolecules, Inc.
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