CSPs from Titration tool

[foster.281]

Hello Bruce et al.,

Having used the titration tool to monitor ligand binding and to quantify affinity, I'd like to streamline the process of mapping the resulting CSPs to the assignments.

I have the assignments in the first xpk file of the series (file1.xpk), while the CSP data are present in the titrData2Tbl table, either as the fitted value for CSP-max (C if using the Quadratic10 model), or form the position of the the last peak in the series. However, only the Kd is written by the titration tool to the xpk  Comment Field (if checked), so the CSP and residue labels are in different tables.

Short of writing a tcl script (my tcl coding skills are very rusty - as in 15y+!), is there an easy way to generate a table with the CSPs in the titration table mapped back to the sequence?

Thanks!

-M