Re: [Janocchio-users] multi-conformer files

[<jan...@da...>]

Hi,

Tested multi-conformer formats are .sdf and .xyz. Concantenating two
.mol files will only work in general if there
is a 

$$$$

line after each conformer (this converts from mol format to sdf format),
if you tried this and it still didn't work
I'm not sure.


Dave


On Tue, 08 Sep 2009 15:18 +0300, "Yael Balazs"
<ba...@te...> wrote:
> Does someone have a demo multi-conformer file available that I could look
> at and
> try out?
> I'd like to see the format of a file that allows me to step through
> frames.
> I tried a .mol file with two conformers and it loads as one frame
> with two conformers on display.
> I'm guessing I need a different format for Janocchio to recognize that
> I want each conformer displayed in a different frame.
> (It seemed like using the shift to to open multiple files should put
> them into different frames, but that didn't work).
> 
> Pax,
> Yael
> 
> -- 
> Yael S. Balazs, Ph.D.                  
> http://schulich.technion.ac.il/mrc 
> NMR Facility Manager                    phone: +972-4-829-3748
> Schulich Faculty of Chemistry           fax: +972-4-829-5703
> Technion - Israel Institute of Technology   
> Haifa, Israel 32000                     email: ba...@te...
> 
> ------------------------------------------------------------------------------
> Let Crystal Reports handle the reporting - Free Crystal Reports 2008
> 30-Day 
> trial. Simplify your report design, integration and deployment - and
> focus on 
> what you do best, core application coding. Discover what's new with 
> Crystal Reports now.  http://p.sf.net/sfu/bobj-july
> _______________________________________________
> Janocchio-users mailing list
> Jan...@li...
> https://lists.sourceforge.net/lists/listinfo/janocchio-users