Hi all,
I am running Coot 0.6.2-pre-1(revision 2816). The OS is Open Suse
11.1. Every time I try to open a SHELX refined pdb file with
ANISOU cards I get this error
ERROR 14 READ: Unmatch in different records for the same atom
Then it lists the line number of the first ANISOU card. If you
SIPPEL,KATHERINE H wrote:
Hi all,
I am running Coot 0.6.2-pre-1(revision 2816). The OS is Open Suse
11.1. Every time I try to open a SHELX refined pdb file with
ANISOU cards I get this error
ERROR 14 READ: Unmatch in different records for the same atom
Then it lists the line number of the
Hi all,
I am running Coot 0.6.2-pre-1(revision 2816). The OS is Open Suse 11.1.
Every time I try to open a SHELX refined pdb file with ANISOU cards I get
this error
ERROR 14 READ: Unmatch in different records for the same atom
Then it lists the line number of the first ANISOU card. If you
Thanks for all of the replies. It turns out with the updated COOT
that ANISOU cards require an element type (column 77-78). It will
still open ATOM card lines without it, hence the confusion. The
output pdb from SHELXL refinement doesn't write this column which
is why COOT was having issues.
SIPPEL,KATHERINE H wrote:
Thanks for all of the replies. It turns out with the updated COOT
that ANISOU cards require an element type (column 77-78).
For the record, it is not fundamentally the update of Coot that has
changed things, it's that recent versions of Coot use recent versions of
