We wish to share the Tcl-libraries we have been developing, mainly for use with SIMPSON or in VMD. Some of the libraries are written entirely in Tcl and are thus platform independent and do not need compilation. Others are written in C and needs be compiled after download.
This package is a general-purpose optimisation package written in Tcl. It relies on the optimisation-1.0 package distributed with VMD. Use the link on the right to download opt-1.0.
The randomcoil Tcl library uses the protein random coil chemical shift predictor of Kjaergaard et al to predict H and HA chemical shifts in proteins.
This library contains Tcl-formatted information on residues, e.g. hydrogen atoms in each residue, their couplings, NOESY and TOCSY transfers, etc.