RE: [ccp4bb]: Refmac input reflection file...

[Quyen Hoang <hoangq@mcmail.cis.mcmaster.ca>]

***  For details on how to be removed from this list visit the  ***
***          CCP4 home page http://www.ccp4.ac.uk         ***

Thank you for all the replies!

The label assignment is fixed now, but Ive a different error message when
Refmac tried to output the PDB file ( == Error: Serious problem on output-
coordinates corrupted++++).

I have some modified amino acids (CGU and hydroxyl-proline) and some
calcium in the structure, so I think that they may have caused the
problem.
How do I deal with the above residues in Refmac?

WarpNtrace found about 30% of the structure. It didnt find the other parts
perhaps because they bound tightly to calcium ions causing strange
continuity of density in that region (but by eye, these regions look
beautiful).
Is there a way to input a starting PDB into WarpNtrace?

Thank you again for your assistance!

Regards,
Quyen


_______________________________
Quyen Hoang
McMaster University
Department of Biochemistry
Health Science Centre Room 4H31
1200 Main Street West
Hamilton, Ontario. L8S 4L8
CANADA
Phone: (905)525-9140 ext: 22457
*********Bad to the Bone********