You can also directly tweak the assignments in pymol. "dss <object>" will run pymol's ad hoc structure assignment algorithm. It seems to be run automatically if you load files without ss headers, so is probably what you are already seeing.

Then you can fix it with "alter resi 5-10, ss='h'" &"rebuild". Especially useful if you disagree with the DSSP assignments. I dont know if pymol writes ss in the PDB headers yet when you save it though.

Alexander D. Scouras

University of California, Berkeley

On May 3, 2012, at 8:35 AM, Antony Oliver <[email protected]> wrote:

Dear all,

Is there a phenix jiffy to assign (and write!) secondary structure definitions to a pdb file?

I'm currently using MacPyMOL to put together some figures, and I can see that some of the secondary structure elements in the cartoon representation aren't being drawn correctly.

Being slightly old-school, I used to use DSSP and the little program dssp2pdb to extract the information and put it into the PDB header.

Is there a simpler / easier way to do this? (NB: I'm aware that CCP4MG copes better with SS assignment, but I prefer to use PyMOL in this instance).

With thanks,

Tony.

---

Dr Antony W Oliver

Senior Research Fellow

CR-UK DNA Repair Enzymes Group

Genome Damage and Stability Centre

Science Park Road

University of Sussex

Falmer, Brighton, BN1 9RQ

email: [email protected]

tel (office): +44 (0)1273 678349

tel (lab): +44 (0)1273 677512

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