Vinay,
> Thanks a lot, could you please send me the C or C++ code,
> since it deal with it a lot. I will follow those in perl and try. Thanks
> a lot.
You're welcome, but I can't do it in C or C++. It would take days to do the
same thing. Perl has very powerful string-handling f
Hi Craig,
Thanks a lot, could you please send me the C or C++ code, since it
deal with it a lot. I will follow those in perl and try. Thanks a lot.
__
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Vinay,
Thanks for your reply, i was using smiles to view the
structure, so few are in smarts. I just wanted to convert smiles to
smarts and smarts to smiles.
Ok, now that I know what you're doing, I can suggest a possible way to do it,
but it's not easy. Attached is a little P
Hi
Thanks a lot for your reply. I then use smiles for SMARTS.
Vinay
--- On Tue, 11/10/09, Geoffrey Hutchison wrote:
From: Geoffrey Hutchison
Subject: Re: [Open Babel] SMARTS to SMILES
To: "Vinay M"
Cc: "babel"
Received: Tuesday, November 10, 2009, 8:55 PM
> Thanks for you
> Thanks for your reply, i was using smiles to view the
> structure, so few are in smarts. I just wanted to convert smiles to smarts
> and smarts to smiles.
SMILES is a subset of SMARTS, so any SMILES string can be used as a SMARTS. The
reverse is not true. I can design many SMAR
Hi
Craig,
Thanks for your reply, i was using smiles to view the structure,
so few are in smarts. I just wanted to convert smiles to smarts and smarts to
smiles.
Thanks
Kindly help
With Warm regards
Vinay
--- On Tue, 11/10/09, Craig A. James wrote:
From: Craig A. James
Vinay M wrote:
> Can anyone help to know, how to convert from SMARTS to SMILES.
You can't. SMARTS is a superset of SMILES, and most SMARTS are not valid SMILES.
Perhaps if you explain why you need to do this, we might be able to suggest a
solution.
Craig
--
Hi
Can anyone help to know, how to convert from SMARTS to SMILES.
Thanks
With Warm Regards
Vinay
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On Tue, Nov 10, 2009 at 4:21 PM, Tim Vandermeersch
wrote:
> On Fri, Nov 6, 2009 at 11:43 PM, Rob Soe wrote:
>> Hi all,
>>
>> I have been reading quite a lot for this MSVCR80.dll error and here is what
>> I found at:
>>
>> http://www.instant-registry-fixes.org/why-do-i-keep-receiving-msvcr80dll-mi
On Fri, Nov 6, 2009 at 11:43 PM, Rob Soe wrote:
> Hi all,
>
> I have been reading quite a lot for this MSVCR80.dll error and here is what
> I found at:
>
> http://www.instant-registry-fixes.org/why-do-i-keep-receiving-msvcr80dll-missing-errors/
>
> "If an application is unable to reach the dll in
Hi,
I have tested a few RXN files on Openbabel GUI on Windows but 0 result has
been output. One of the RXN file is attached.
I temporarily have to use Regexp to parse the RXN format to SDF as C# code
as pasted below. It is even not trusted by myself.
f = Regex.Replace(f, "\\$RXN(.
Hello Jana,
I'm afraid that building OB on cygwin currently is broken (and has
been for a long time). Some work was done on fixing it but problems
remain. Is there some particular reason you require a cygwin build?
- Noel
2009/11/6 Jana Kneslova :
> Hello,
>
> I tried to install open babel versi
Roe - there's something different about your setup compared to mine.
Could you specify your OS, what exact version of MSVC++ you're using,
whether you're building the trunk or the branch, and whether you're
using Cmake or not.
In general, these MS DLLs are available through VC++ redistributable
pa
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