OK, that's uploaded. See
http://chemapps.stolaf.edu/jmol/docs/examples-11/new.htm and
http://chemapps.stolaf.edu/jmol/docs/examples-11/Jmol-11.zip
On Wed, Nov 5, 2008 at 8:59 AM, Robert Hanson <[EMAIL PROTECTED]> wrote:
> oops -- that didn't work -- will have this corrected later this morning.
> Looks like 90 degrees is more reasonable -- 120 cuts out way too many.
>
>
> On Tue, Nov 4, 2008 at 8:25 PM, Robert Hanson <[EMAIL PROTECTED]> wrote:
>
>> should be adjustable -- but I haven't actually tested it. Just thought I
>> would get that out there for inspection.
>>
>> David -- to a first approximation, of course, if you have the H atoms and
>> you can live with just distance and a parameter, it's just a connect command
>> to produce all those hydrogen bonds. If you need more, then it's just a
>> matter of defining what angle requirements one might want.
>> Bob
>>
>>
>>
>>
>> On Tue, Nov 4, 2008 at 7:49 PM, Thomas Stout <[EMAIL PROTECTED]>wrote:
>>
>>>
>>> It looks nice! -- is the angle adjustable? I tried setting it to other
>>> values (even extreme values) and didn't see any change in the created H
>>> bonds....
>>>
>>> -Tom
>>>
>>> On Tue, Nov 4, 2008 at 4:40 PM, Robert Hanson <[EMAIL PROTECTED]>wrote:
>>>
>>>> see
>>>>
>>>> http://chemapps.stolaf.edu/jmol/docs/examples-11/new.htm
>>>>
>>>> The min/max distances are same as for other H bonds:
>>>>
>>>> hbondMax = 3.25f;
>>>> hbondMin = 2.5f;
>>>>
>>>> These values aren't currently adjustable.
>>>>
>>>> comments requested
>>>>
>>>>
>>>>
>>>> On Tue, Nov 4, 2008 at 5:23 PM, Robert Hanson <[EMAIL PROTECTED]>wrote:
>>>>
>>>>> Possibly. Is that documented or discussed somewhere in the literature?
>>>>>
>>>>> I could probably implement that tonight while watching the election
>>>>> returns then let you try it out. I propose:
>>>>>
>>>>> calculate hbonds {atomset1} {atomset2}
>>>>>
>>>>> maybe with some settings for minimum and maximum distances.
>>>>>
>>>>> 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
>>>>
>>>>
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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
>>
>
>
>
> --
> 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
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Build the coolest Linux based applications with Moblin SDK & win great prizes
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