Images and screenshots
Screenshots and other example images:
Rigid body fitting 1OEL.pdb to GroEL 4.4 A density map
- Radhakrishna Bettadapura
- Qin Zhang
- Chandrajit Bajaj
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We use the electrostatics potential of the crystal structure for the purposes of rigid-body fitting, i.e., the electrostatics potential is correlated with the cryo-EM density map under various rigid-body transformations. The potential is computed using a suitable Poisson-Boltzmann solver such as APBS. See the attached document for details.
GroEL 4A.pdf describes the fitting of GroEL into its density map.
F2Fit.pdf describes the software used for fitting. F2Fit will eventually be available from the CVC software page: http://www.cs.utexas.edu/~bajaj/cvc/software.shtml
In all fitting experiments, VolumeRover was used for segmentation, F2Fit for fitting, and TexMol for visualization. Additionally, UCSF Chimera was used to select, isolate and save protein chains.
Submitted PDB Models: