VMD-L Mailing List

From: ABEL Stephane 175950 (Stephane.ABEL_at_cea.fr)
Date: Fri Jan 18 2008 - 03:36:30 CST

Hi VMD users

I use VMD (1.8.6) for windows and I have a problem with the Timeline plugin and STRIDE. When I load a pdb file with a 100 or more configs of a protein and compute the secondary structure with Timeline plug it works well. But when i want to save the file in ASCII with the command "Write the data file" i found some error. Indeed in dat file the fourth column of some config where is plotted the secondary structure code is not letter but number (see below). These errors are randomly placed when save the datas several times so i think that my pdb is reason of this error.

Error

100 X CA 128 H
101 X CA 128 H
102 X CA 128 H
103 X CA 128 C
104 X CA 128 C
105 X CA 128 C
2 X CA 129 1.96399998665
3 X CA 129 4.87200021744
4 X CA 129 8.35000038147

Do you know this problem ?

Thank you for your help

Stefane