On 23/11/10 10:20, Harm Otten wrote:
Dear all,
please help me out with a significant drawback in our coot 0.6
installation for Ubuntu 8.04+ and some Fedora boxes.
1) LSQ of chain B 2) Deleted molecules still in list
We are not able to LSQ superimpose models to a B chain. The algorithm
and command works only for a chains. Anybody seen that before?
Logs looks like this
INFO:: reference from 1 to 100 chain A moving from 1 to 100 chain
match type: 2
INFO:: Matching/moving molecule number 2 to 1
WARNING - no residue for reference residue number 1 A
WARNING - no residue for moving molecule residue number 1
WARNING - no residue for reference residue number 2 A
WARNING - no residue for moving molecule residue number 2
WARNING - no residue for reference residue number 3 A
WARNING - no residue for moving molecule residue number 3
WARNING - no residue for reference residue number 4 A
WARNING - no residue for moving molecule residue number 4
WARNING - no residue for reference residue number 5 A
WARNING - no residue for moving molecule residue number 5
WARNING - no residue for reference residue number 6 A
WARNING - no residue for moving molecule residue number 6
WARNING - no residue for reference residue number 7 A
WARNING - no residue for moving molecule residue number 7
WARNING - no residue for reference residue number 8 A
.....
WARNING:: no points to do matching
I suspect user-error, if I may be so bold.
It seems that you are trying to match residues 1 to 100 Chain "A" to
residues 1 to 100 in the "" chain of the reference.
Additionally, which might have to do with the same problem (not
natively compiled, but downloaded the prebuild binaries for Ubuntu and
Fedora respectively), if I delete molecules they will still show up in
the list of molecules.
How are you deleting the molecules? Do you see Gtk error messages in
the console? What version are you using?
$ coot --version-full
If I load a pdb file the window stays open, not so convenient compared
to the "intelligent" version before.
You mean the file selector dialog, I take it?
Paul.
