Re: [Open Babel] Intro to using Open Babel

2012-12-05 Thread Igor Filippov [Contr]
It's great, Noel, but... no MCS in OpenBabel? :(
I completely agree that my implementation is not perfect but it does 
work within some reasonable limits...

Igor

On 12/4/2012 12:48 PM, Craig James wrote:
 Very nice ... thanks for doing this.  Things like this should be
 available in the OB documentation as a resource for those starting new
 projects or trying to make a presentation to their management.

 Craig

 On Tue, Dec 4, 2012 at 3:31 AM, Noel O'Boyle baoille...@gmail.com
 mailto:baoille...@gmail.com wrote:

 Hi all,

 Here are some introductory slides to features and usage of Open Babel:
 http://baoilleach.blogspot.co.uk/2012/12/intro-to-open-babel.html

 Regards,
 Noel

 
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Re: [Open Babel] Intro to using Open Babel

2012-12-05 Thread Noel O'Boyle
My comment was referring to the OB library, and your implementation is
not in there. As contributed code it may be useful to people, but
having it in the library would expand the capabilities of 'obabel' and
friends.

- Noel

On 4 December 2012 17:55, Igor Filippov [Contr] igor.filip...@nih.gov wrote:
 It's great, Noel, but... no MCS in OpenBabel? :(
 I completely agree that my implementation is not perfect but it does
 work within some reasonable limits...

 Igor

 On 12/4/2012 12:48 PM, Craig James wrote:
 Very nice ... thanks for doing this.  Things like this should be
 available in the OB documentation as a resource for those starting new
 projects or trying to make a presentation to their management.

 Craig

 On Tue, Dec 4, 2012 at 3:31 AM, Noel O'Boyle baoille...@gmail.com
 mailto:baoille...@gmail.com wrote:

 Hi all,

 Here are some introductory slides to features and usage of Open Babel:
 http://baoilleach.blogspot.co.uk/2012/12/intro-to-open-babel.html

 Regards,
 Noel

 
 --
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Re: [Open Babel] Intro to using Open Babel

2012-12-04 Thread Craig James
Very nice ... thanks for doing this.  Things like this should be available
in the OB documentation as a resource for those starting new projects or
trying to make a presentation to their management.

Craig

On Tue, Dec 4, 2012 at 3:31 AM, Noel O'Boyle baoille...@gmail.com wrote:

 Hi all,

 Here are some introductory slides to features and usage of Open Babel:
http://baoilleach.blogspot.co.uk/2012/12/intro-to-open-babel.html

 Regards,
Noel


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