ps -- you can ZAP full models. That's better than deleting them, because
although DELETE and ZAP are both irreversible, DELETE doesn't recover an
memory. So use
zap {2.1}
not
delete 2.1
for best memory management.
Bob
On Wed, Jun 19, 2013 at 6:19 PM, N David Brown <[email protected]> wrote:
> Thanks Bob :)
>
>
> On 19 June 2013 23:53, Robert Hanson <[email protected]> wrote:
>
>> delete atomno=13
>> delete atomno < 10
>> delete C27
>>
>> just like SELECT
>>
>>
>> On Wed, Jun 19, 2013 at 3:12 PM, N David Brown <[email protected]> wrote:
>>
>>> I'd like to remove a single atom by name with zap. Removal of symmetry
>>> equivalents with the same name is acceptable.
>>>
>>> Is there a way to do this?
>>>
>>> <http://chemapps.stolaf.edu/jmol/docs/#zap>
>>> http://chemapps.stolaf.edu/jmol/docs/#zap
>>>
>>> Running e.g. zap O13 or zap atomname=C27 will eliminate the entire
>>> molecule containing the specified atom, as suggested in the docs.
>>>
>>> Cheers,
>>>
>>> Dave
>>>
>>>
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>>
>>
>> --
>> Robert M. Hanson
>> Larson-Anderson Professor of Chemistry
>> St. Olaf College
>> Northfield, MN
>> http://www.stolaf.edu/people/hansonr
>>
>>
>> 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
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
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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