Hi,
IronPython is a Python implementation on top of the .NET environment. Though it
is mostly source compatible with pure Python programs, RDKit is not a pure
Python package. RDKit has most of its functionality implemented in C++.
Therefore, do not expect to use RDKit from .NET languages directly at least in
the short term.
Reference: http://www.resolversystems.com/documentation/index.php/Ironclad
-Eddie
On Oct 20, 2010, at 12:49 PM, sridhar.kuntamukk...@thomsonreuters.com wrote:
> There are RDKit builds available with Standard releases of Python.
> But I just downloaded IronPython (hoping work with .NET, VB or C#).
> >>> sys.version
> '2.6.1 (IronPython 2.6.1 (2.6.10920.0) on .NET 2.0.50727.3603)'
>
> The RDKit I downloaded is for Python 2.5
> Obviously, it is not importing in IronPython.
>
> If there is an RDKit build for IronPython, could someone point me to the
> source?
>
> Many Thanks
> Sridhar
>
> p.s. How Could I connect direct to oracle from Python2.5 to Oracle 11g?
> details in below thread.
>
> From: Kuntamukkula, Sridhar (Hlthcr&Science)
> Sent: Wednesday, October 20, 2010 2:04 PM
> To: rdkit-discuss@lists.sourceforge.net
> Subject: Re: [Rdkit-discuss] [Rdkit-devel] How to build the RDKit?
>
> Hi,
> I have downloaded the “Windows x86 Installer (Oracle 11g, Python 2.5)” to my
> PC and installed it.
> From Python command-line, when I try to connect to oracle, I get the
> following error.
>
> C:\RDkit>python
> Python 2.5 (r25:51908, Sep 19 2006, 09:52:17) [MSC v.1310 32 bit (Intel)] on
> win
> 32
> Type "help", "copyright", "credits" or "license" for more information.
> >>> import cx_Oracle
> >>> con = cx_Oracle.connect("user", "pwd", "chemdev")
> Traceback (most recent call last):
> File "<stdin>", line 1, in <module>
> cx_Oracle.DatabaseError: ORA-24315: illegal attribute type
>
> I have originally used the connstr=user/p...@chemdev' and this gave me the
> same error as above.
> Then I found the above syntax in the cx_oracle_doc folder’s readme.txt and am
> lost now.
>
> MY PC has Windows XP, Oracle is on a different server (with a TNS entry
> “chemdev”) and I just added TNS_ADMIN Registry_entry and the path of
> TNS_ADMIN to the PATH env. Variable.
> From a command prompt, sqlplus user/p...@chemdev works fine.
>
> Any thoughts?
>
> Many thanks
> Sridhar
>
> From: nikolaus.sti...@novartis.com [mailto:nikolaus.sti...@novartis.com]
> Sent: Wednesday, October 20, 2010 2:07 AM
> To: Eddie Cao
> Cc: rdkit-de...@lists.sourceforge.net; Kuntamukkula, Sridhar
> (Hlthcr&Science); rdkit-discuss@lists.sourceforge.net
> Subject: Re: [Rdkit-devel] How to build the RDKit?
>
>
> Hi Sridhar,
>
> congrats on getting things working. One more comment - maybe you want to post
> these kind of questions rather in the discuss than the devel list. It is much
> more populated and you will for sure get replies quicker.
>
> Cheers
> Nik
>
> Eddie Cao <cao.yi...@gmail.com>
> 10/19/2010 11:49 PM
>
> To
> sridhar.kuntamukk...@thomsonreuters.com
> cc
> rdkit-de...@lists.sourceforge.net
> Subject
> Re: [Rdkit-devel] How to build the RDKit?
>
>
>
>
> Hi Sridhar,
>
> Congratulations! If from rdkit import Chem gives you >>>, then it is very
> good sign that things are all in place.
>
> To load molecules from Oracle database, you need a database connector called
> cx_Oracle. After installing this module, you will be able to send SQL
> statement to Oracle to retrieve molecule SMILES or SDF, depending on how
> molecules are stored in your database. You might need to consult your
> database administrator.
>
> To download cx_Oracle: http://cx-oracle.sourceforge.net/
> For a simple example about how to use it: http://wiki.oracle.com/page/Python
>
> Check Section 14 of the Getting Started in Python Guide for a complete list
> of descriptors you can calculate using RDKit:
>
> http://rdkit.org/GettingStartedInPython.pdf
>
> Regards,
> Eddie
>
> On Oct 19, 2010, at 2:31 PM, sridhar.kuntamukk...@thomsonreuters.com wrote:
>
> Hi Nik,
> Looks like I had a version issue with the RDkit I downloaded. I needed
> Q22010_1 for Python2.5 but I downloaded Q22009_1 in which, it was looking for
> Python2.5 (hardcoded path from one of the libs, looked like) when I ran the
> test command (hence I downloaded and installed Python2.5 and removed 2.6).
> Now that I have a clean install of Py2.5 and fresh download of RDkit Q22010_1
> for Py2.5, the test command ran well and passed the test.
>
> I just have to go to the next step.
> I need to create molLogP, NumHAcceptors, NumHDonors etc.. values for a given
> molecule.
> My molecules are actually stored in an Oracle DB.
> So, Where do I begin?
>
> I just got your other mail. The install is set and OK now as it seems.
> I ran the command “from rdkit import Chem” from the command-line and it put
> me back to the >>> prompt, no add’l msgs.
> As for sending to the whole group, it was an honest mistake. I just clicked
> “Reply”. Some other lists that I subscribed to, send to the list
> automagically. I realized my mistake when I didn’t receive the mail back to
> me and fixed it in this one.
>
> Regards,
> Sridhar
>
> ------------------------------------------------------------------------------
> Download new Adobe(R) Flash(R) Builder(TM) 4
> The new Adobe(R) Flex(R) 4 and Flash(R) Builder(TM) 4 (formerly
> Flex(R) Builder(TM)) enable the development of rich applications that run
> across multiple browsers and platforms. Download your free trials today!
> http://p.sf.net/sfu/adobe-dev2dev_______________________________________________
> Rdkit-devel mailing list
> rdkit-de...@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/rdkit-devel
>
>
> _________________________
>
> CONFIDENTIALITY NOTICE
>
> The information contained in this e-mail message is intended only for the
> exclusive use of the individual or entity named above and may contain
> information that is privileged, confidential or exempt from disclosure under
> applicable law. If the reader of this message is not the intended recipient,
> or the employee or agent responsible for delivery of the message to the
> intended recipient, you are hereby notified that any dissemination,
> distribution or copying of this communication is strictly prohibited. If you
> have received this communication in error, please notify the sender
> immediately by e-mail and delete the material from any computer. Thank you.
> ------------------------------------------------------------------------------
> Nokia and AT&T present the 2010 Calling All Innovators-North America contest
> Create new apps & games for the Nokia N8 for consumers in U.S. and Canada
> $10 million total in prizes - $4M cash, 500 devices, nearly $6M in marketing
> Develop with Nokia Qt SDK, Web Runtime, or Java and Publish to Ovi Store
> http://p.sf.net/sfu/nokia-dev2dev_______________________________________________
> Rdkit-discuss mailing list
> Rdkit-discuss@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
------------------------------------------------------------------------------
Nokia and AT&T present the 2010 Calling All Innovators-North America contest
Create new apps & games for the Nokia N8 for consumers in U.S. and Canada
$10 million total in prizes - $4M cash, 500 devices, nearly $6M in marketing
Develop with Nokia Qt SDK, Web Runtime, or Java and Publish to Ovi Store
http://p.sf.net/sfu/nokia-dev2dev
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
