Cautious in using "vector ident (store[1-9]) (selection)" in the versions prior to 3.1

Jiang Jiansheng jiang at LAPLACE.CSB.YALE.EDU
Fri Aug 11 14:40:14 EST 1995


Dear X-PLOR users,

In the versions prior to 3.1, the statement of 

"vector ident (store[1-9]) (selection)" might have a problem 

when the atom ids is being modified or in some cases
of special selections/deletions.

This problem has been fixed in the versions later than 3.1.

Jiansheng Jiang.


> i am refining a strucutre in which i have alternate conformations.
> i have used the constraint interaction statement to prevent two
> alternate conformations from interacting with each other, but during
> the powell minimization, it still gives me the message that atoms in
> the 2 conformations are too close to each other.  why does the
> powell min. seem to ignore these interaction constraints? is this normal?
> 

> matt pugmire
> pugmire at bio.cornell.edu






More information about the X-plor mailing list