AMBER Archive (2001)

Subject: modified aminoacids using Leap

From: Giulio Rastelli (giulio_at_caesar.unimo.it)
Date: Thu Feb 22 2001 - 05:14:00 CST

Dear all,

I have built a modified aminoacid by importing the modified .pdb
file of the aminoacid into Leap, thus creating a new unit.

However, Head atom (N) and Tail atom (C) of the new aminoacid
need to be defined for a correct chain elongation . Is there a way to do
this using leap,
instead of editing the .lib file and change the:

!entry.ALA.unit.connect array int

and

!entry.ALA.unit.residueconnect table int c1x int c2x int c3x int c4x int
c5 x int c6x

,fields accordingly?

Thank you very much

Giulio Rastelli
Dipartimento di Scienze Farmaceutiche
Universita di Modena e Reggio Emilia
Via Campi 183
41100 Modena - ITALY
-------------------------------------
tel 0039-059-2055145
fax 0039-059-2055131
-------------------------------------