Welcome NMRPipe: Software for multidimensional NMR Applications and examples NMR and protein structure Miscellaneous Resume, lecture slides, and thesis
Frank Delaglio, Ph.D. 19804 Maycrest Way Germantown MD 20876 USA 301 806-0867 delaglio@nmrscience.com
Scripts of the NMRPipe System fixPDB.tcl: Adjust a PDB for use in TALOS/DYNAMO database applications. Flag Argument Default Description -in inPDBName Input PDB File. -out outPDBName Output PDB File. -seg segName Segment Name for Output PDB. -gmc gmcName GMC Directory Name, if Needed to Add Protons. -gap maxPDBGap Maximum Allowable Missing Residue Count. -addH Force Addition of Protons via DYNAMO Annealing.