Andrew -- don't worry about the bounce. I got it. (Funny -- I hadn't
realized that since I see the bounce reports anyway, anyone can send me
large files by this list!)
On Sun, May 20, 2012 at 1:57 PM, <
jmol-developers-boun...@lists.sourceforge.net> wrote:
>
>
> ---------- Forwarded message ----------
> From: Andrew Long <andrew.long.3...@gmail.com>
> To: jmol-developers@lists.sourceforge.net
> Cc:
> Date: Sat, 19 May 2012 17:16:35 -0300
> Subject: Re: [Jmol-developers] possible isosurface bug
> in these cases I used...
>
> load methylisocyanate.mol2 //or whatever file
> isosurface molecular
> dots
>
>
>
> On Fri, May 18, 2012 at 6:13 PM, Robert Hanson <hans...@stolaf.edu> wrote:
>
>> looks to me like you didn't select the sulfur atom. In one case you may
>> have used the IGNORE keyword and in the other case not.
>>
>> Please package those up as .jmol files and send them to me.
>>
>> write tobob.jmol
>>
>> Bob
>>
>> On Fri, May 18, 2012 at 3:24 PM, Andrew Long
>> <andrew.long.3...@gmail.com>wrote:
>>
>>> while messing around with isosurfaces I ran into another possible bug.
>>>
>>> http://imgur.com/FO8x0
>>>
>>> http://imgur.com/GR0tE
>>>
>>> I tried just thiocyanate and it seems to work. I've attached the mol2
>>> files. Where exactly in the code is the isosurfaces calculated?
>>>
>>> Cheers Andrew
>>>
>>>
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>>>
>>
>>
>> --
>> 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
>>
>>
>> ------------------------------------------------------------------------------
>> Live Security Virtual Conference
>> Exclusive live event will cover all the ways today's security and
>> threat landscape has changed and how IT managers can respond. Discussions
>> will include endpoint security, mobile security and the latest in malware
>> threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/
>> _______________________________________________
>> Jmol-developers mailing list
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>> https://lists.sourceforge.net/lists/listinfo/jmol-developers
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>>
>
>
--
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
------------------------------------------------------------------------------
Live Security Virtual Conference
Exclusive live event will cover all the ways today's security and
threat landscape has changed and how IT managers can respond. Discussions
will include endpoint security, mobile security and the latest in malware
threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/
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