Re: [Jmol-developers] Jmol-developers Digest, Vol 47, Issue 6

[Robert H. <ha...@st...>]

I should stress that I have no idea what Chime does when there is no
stereochemistry indicated. Jmol will make a stab at generating
chair-conformation rings, but that's about it. In general it would require
the standard amount of stereochemical indicators. And it's certainly not
fully worked out.

On Thu, Apr 29, 2010 at 12:01 AM, Robert Hanson <ha...@st...> wrote:

>
>
> On Wed, Apr 28, 2010 at 5:34 PM, LANCASHIRE,Robert J <
> rob...@uw...> wrote:
>
>> Bob,
>>
>> this would then mean Jmol really does provide a replacement for MDL
>> CHIME.....
>> Would Jmol then read mol files where all the z coords were zero and be
>> able
>> to generate a reasonable representation?
>>
>>
> Yes, you can now use:
>
> load "myfile.mol" filter "2D"
>
> Since you might be interested in that, I've added to the MOL file reader
> the reading of stereochemical bonds.
>
>
>
> Bob
>
> --
> Robert M. Hanson
> Professor of Chemistry
> St. Olaf College
> 1520 St. Olaf Ave.
> Northfield, MN 55057
> http://www.stolaf.edu/people/hansonr
> phone: 507-786-3107
>
>
> If nature does not answer first what we want,
> it is better to take what answer we get.
>
> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
>



-- 
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107


If nature does not answer first what we want,
it is better to take what answer we get.

-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900