[Chimera-users] Creating output with IDATM naming
pett at cgl.ucsf.edu
Mon Feb 3 14:17:26 PST 2014
It's pretty easy. Open the Attribute Calculator tool (in Structure Analysis). Set the "Calculate attribute" field for atoms to "saveName" and the Formula field to "atom.name" and click Apply. This will stash all the atom names in a "saveName" attribute so we can restore them later. Then set the attribute to "name" and the formula to "atom.idatmType" and click Apply. Now all the atom names have been changed to the IDATM type. The display may change in response. Now save your PDB file. Then restore the original names by calculating attribute "name" with formula "atom.saveName".
UCSF Computer Graphics Lab
On Jan 31, 2014, at 12:49 PM, Nikolay Igorovich Rodionov wrote:
> Does anyone know a way to rename all of the atom names in a PDB file to their IDATM types, so that a new PDB file can be generated with the IDATM naming scheme?
> Nikolay Rodionov
> Chimera-users mailing list
> Chimera-users at cgl.ucsf.edu
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