[gmx-users] Programs to add residues

Chris Neale chris.neale at utoronto.ca
Tue Jun 21 22:12:21 CEST 2011


Try "Loopy". You can get it to build termini in addition to loops.

http://wiki.c2b2.columbia.edu/honiglab_public/index.php/Software:Loopy

Nevertheless, I'd suggest simply omitting that part of the protein and 
capping your new terminus to remove the charge. You will have more 
difficulties converging the conformation of the unstructured terminus 
than you may expect.

CHris.

-- original message --

Hi all,

Is there a program that allows the user to add residues to the N and C
terminus, without using the electron density?  I would like to add a
short linker to my protein which doesn't exist in the electron
density.

Thanks a lot,

Sincerely,
Zack




More information about the gromacs.org_gmx-users mailing list