Bugs item #963912, was opened at 2004-06-01 01:57
Message generated for change (Comment added) made by nicove
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Status: Open
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Priority: 5
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>> I have identified at least the following limitations :
>> - the atomic mass can be specified in the SMILES string but is not used
>> for
>> the pattern matching (I didn't find the notion of atomic mass in Jmol)
>
>Q: Is there general value in adding a table of atomic masses to Jmol?
>
>Q: If w
Am Dienstag, den 22.03.2005, 20:59 +0100 schrieb Nicolas Vervelle:
> From: "Daniel Leidert" <[EMAIL PROTECTED]>
> > What about using PHP and not XML/XSL for this special problem? And BTW:
>
> Well, I don't know PHP, and don't know either if you can use PHP on
> sourceforge websites.
Usage should
On Tuesday 22 March 2005 03:50 pm, [EMAIL PROTECTED] wrote:
> I forgot this reason for not using CDK SMILES parser : in the comment for
> the SmilesParser class, there is "So far only the SSMILES subset and the
> '%' tag for more than 10 rings at a time are supported". Since I wanted to
> use more
From: "Daniel Leidert" <[EMAIL PROTECTED]>
> What about using PHP and not XML/XSL for this special problem? And BTW:
Well, I don't know PHP, and don't know either if you can use PHP on
sourceforge websites.
I can learn, but I was looking for a quick way of doing this ;)
> IMHO it's useless to us
At 09:09 22/03/2005, Egon Willighagen wrote:
On Monday 21 March 2005 10:38 pm, Nicolas Vervelle wrote:
> I have just committed under CVS the first version of the substructure()
> command for the script language.
I have been thinking of having a plugins for certain functionality like
this... I can
Hi,
I forgot this reason for not using CDK SMILES parser : in the comment for the
SmilesParser class, there is "So far only the SSMILES subset and the '%' tag
for more than 10 rings at a time are supported".
Since I wanted to use more than just the SSMILES subset, I choose not to use it.
Maybe t
> I have just committed under CVS the first version of the substructure()
> command for the script language.
Tres bien!
> I have identified at least the following limitations :
> - the atomic mass can be specified in the SMILES string but is not used
> for
> the pattern matching (I didn't find th
Hi Miguel,
it seems a good idea to do this, I will try to work on the Smiles pattern
matching code this evening after office to take into account this remark and
the others you already gave.
Message d'origine
>De: "Miguel" <[EMAIL PROTECTED]>
>A: jmol-developers@lists.sourceforge.net
>
