Subject: for noe2xplor.py
From: wenyong_tong
Date: Nov 23 2:48 PM

Hi everyone,

I have some questions:

1. Anyone can help me for using noe2xplor.py converts a NOE peak assignment lists from
Sparky into an XPLOR-NIH distance restraints file?

I got the following message when executed noe2xplor.py:

Sparky Peak List reading .................................

Traceback (most recent call last):
File noe2xplor.py, line 687, in ?
usernoe, redundant = read_peaklist(infile, lexic)
File noe2xplor.py, line 581, in read_peaklist
new_noe = PeakInfo(line[0], line[1])
IndexError: list index out of range
s
2, Are there any differences between volume obtained from NOESY and ROESY? If the
volume or data height from ROESY, whether it need to do the correction for the volumes
from ROESY.

3. To cyana and sparky users, how you can use Cyana to create the sequence file for cyclic
peptides ( cyclized by SS bond)? I know we can use link SG 20 25 etc, but in the pdb file, I
found the ss-bond was not connected.

I would appreciate your assistance.

Wenyong