Hi all,

I'm using DS 2.5 and I'm a experienced computional chemist and biologist.

I am wondering if there is a way to update the antibody dataset used by the Build Antibody Loops protocol?

There is a folder named Antibody in the a path like "D:\Program Files (x86)\Accelrys\SES\apps\scitegic\dscore\server\share\Antibody" (this is my path, yours will be very similar with mine.). In the Antibody folder, I found a "Template" folder and 6 files. There are nearly 1300 PDB files in the Template folder. Half of them is the Heavy chain, and the other half is the Light chain. As to those files in the Antibody folder, they are "AbVariablesNR.phr", "AbVariablesNR.psi", "AbVariablesNR.psd", "AbVariablesNR.pin","AbVariablesNR.psq" and "NR.cdr". "NR.cdr" and "AbVariablesNR.psd" are text files and can be read by normal text editers, however, the others are binary files thus can not be read by man.

My questions are:

1. Is there a way to update the antibody dataset used by the Build Antibody Loops protocol ? I want to put some newly solved X-ray structures in.

2. What are the files I mentioned above stand for and how to generate or update them ?

Thanks a lot!

Ming Liu, Ph.D