Subject: sphgen

From: "Haitao Ji" <[email-masked]>
Date: Tue, 27 Aug 2002 22:12:37 -0600

Hi, DOCK user

Does anyone learn how to add the strutural information of ligands from the crystal structure into the resulting file of sphgen (that is *.sph)? I think the ligand coordinates are easy to be added into the *.sph file. But how can we determine the sphere redius for those atoms from the crystal structure? Besides, How can we designate the number of the atom with which suface atoms are associated? 

Could anyone share me with his experience in sphere generation? Any suggestion is appreciated.

Haitao Ji
[email-masked]