[Chimera-users] command line mode
Eric Pettersen
pett at cgl.ucsf.edu
Thu Feb 28 16:41:01 PST 2008
On Feb 27, 2008, at 2:32 PM, Elaine Meng wrote:
> Hi S,
> If you enter Chimera commands, for example
> command: addh
> command: col byatom
> you can save them from the Command History either as the original
> Chimera commands or their Python translations. Open Command History
> (click black triangle to the right side of the command line, choose
> "Command History"). In the Command History, choose the lines you
> want to save, then click "Record..."
> This brings up another dialog for saving to a file. Choose the
> option to "Record as Python commands" and save the file. In this
> example, the file contains
>
> import Midas
> from Midas.midas_text import makeCommand
> makeCommand('addh')
> makeCommand('col byatom')
While the above certainly works, the preferred Python equivalent
nowadays would be:
from chimera import runCommand
runCommand('addh')
runCommand('col byatom')
I have updated the Command History widget to output the "modern"
equivalent now (it was my fault it didn't).
It seems you figured out your hydrogen-adding and minimizing issues...
--Eric
Eric Pettersen
UCSF Computer Graphics Lab
http://www.cgl.ucsf.edu
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