A beautiful post by Michael Clarkson on a beautiful work by himself and friends, published in Nature. It’s always nice when a fellow blogger gets to present his own work. Post is re-blogged as is from “Discount Thoughts”.
I just read this summary from Katharine Sanderson in Nature about an effort led by Gert Vriend to correct and improve crystallographic structures in the PDB. I’m going to read their paper, “PDB_REDO: automated re-refinement of X-ray structure models in the PDB” before I get too excited about it, but Ms. Sanderson said the R-free’s are going down, so my hopes are high.
Correcting errors in structures in the PDB in an automated fashion has been sorely needed for a long time. When it comes to modeling, benchmarking, and experimentation based on structures from the PDB, GIGO.