Re: [Jmol-users] centerAt boundbox coordinates

[Miguel <mi...@jm...>]

> On Nov 16, 2005, at 3:43 p, Miguel wrote:
>
>>
>>> Is there a way to get Jmol to tell me the current centerAt boundbox
>>> coordinates, once I have changed the center by a command such as
>>> =22center 124:a.ca=22 ?
>>
>> Not sure exactly what you are asking with the phrase 'current centerAt=

>> boundbox'
>>
>
> hi all,
>
> Frieda and I spoke yesterday for quite a while about this issue.  to
> sum up:
>
> the goal is to convert the output of Chime's 'view show' command into
> a set of orientation commands that Jmol understands, without user
> involvement.
>
> the problem was that we had the center coords from Chime, but
> applying them in Jmol using 'centerAt boundbox' was not giving the
> expected results.

That is because 'centerAt boundbox' was the wrong command.

You don't want the center it relative to the boundbox, you want to center=

it at an absolute coordinate.

> we thought that 'centerAt boundbox' might not be working; in fact, it
> appears to be working just fine.  BUT... you must switch the sign of
> the z center coordinate from Chime first.
>
> argh.  <doh>.  for lack of a nail...

Now I am very confused ... ?=21=23=40(*&



Do *not* use 'centerAt boundbox' ... use 'centerAt absolute'


Miguel