All - can anyone help me with the syntax of the 'mutate_by_overlap' scripting command. I need to mutate a CYS to a chemically-modified entity that I've called CYD. I made a Refmac dictionary entry for this which I read in & it's accepted. I'm using WinCoot so I understand I must use Python syntax.
I've tried the following: mutate_by_overlap(0,"A",17,"CYD") and also every variation of adding & deleting apostrophes & quotes I can think of: everything I try is rejected, typically with this message: coot >> mutate_by_overlap(0,"A",17,"CYD") BL WARNING:: Python error! (Or you attempted to use an invalid guile command...) Python error: an integer is required <type 'exceptions.TypeError'> and in the text window: get_monomer ("CYD") This is not a guile command! What does it mean by "an integer is required"? I've got to the point where I'm tearing my hair out with this, I hope someone has some good ideas! Cheers -- Ian PS I'm using a Gmail account because the JISCmail server wouldn't send a joining confirmation e-mail to my Astex address (I tried several times & I think 12 hrs is long enough to wait for the e-mail to arrive): does it have something against Astex or is it just a glitch in the server? ******************************************** Ian J. Tickle, DPhil. Director of X-ray Technology Astex Therapeutics Ltd 436 Cambridge Science Park Milton Road, Cambridge CB4 0QA, UK Tel: +44(0)1223 226214 Fax: +44(0)1223 226201 www.astex-therapeutics.com