That's very nice -- I'm quite pleased with that feature
Thanks Bob!
-Tom
On Wed, Nov 5, 2008 at 10:56 AM, Robert Hanson <[EMAIL PROTECTED]> wrote:
> 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
>
> -------------------------------------------------------------------------
> This SF.Net email is sponsored by the Moblin Your Move Developer's
> challenge
> Build the coolest Linux based applications with Moblin SDK & win great
> prizes
> Grand prize is a trip for two to an Open Source event anywhere in the world
> http://moblin-contest.org/redirect.php?banner_id=100&url=/
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> Jmol-users@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/jmol-users
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>
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