Hi,
I suggest you check which version of MOLREP you used. Currently,
BALBES now actually use MOLREP in 'auto' mode for PST. The two should
be the same. The difference may be because BALBES uses the latest
version of MOLREP.
Fei
On 7/30/07, Eleanor Dodson <[EMAIL PROTECTED]> wrote:
> I think th
I think the error is in BALBES - there is a peak I guess at 0.95 0 0.01
but it must be too close to the origin to be a translation vector from
one molecule to another.
There are reasons for such peaks - sometimes spurious large terms in the
data..
but they dont usually represent true molecula
Dear colleagues,
For a particular MR problem I am dealing with, 'analyse_mr' suggests
that there maybe a pseudo-translation vector as evidenced by the very
significant non-origin peaks in the native patterson: e.g
GRID 80 112 80
CELL 104.8290 151.2840 109.4910 90. 118.1310 90.
A
