[Dock-fans] dms issues

Beth beth.ashbridge at gmail.com
Tue Nov 15 04:54:03 PST 2005


Dear Dock experts,

I have run through the Dock tutorial with the provided files and then
I began with my own little receptor and I have hit a wall. I am trying
to produce the rec.ms file from the rec_fixed.pdb file and the command
seems to work but when I try to open it in chimera I get an error/bug
report. After examining the files and comparing the rec.ms with the
demo equivalent I noticed that the x coordinates are much larger in my
file so causing a lack of spacing between the atom type and the x
coordinate columns when there are 3 or more digits infront of the
decimal point. Please see attached questiondms file for proof. I think
this may be the problem but as I am not an expert in C++ I am
struggling to find the solution so that I can alter the script to
allow for larger numbers in that column? Can anyone help me and
suggest where I need to alter the C++ program and with what command?

Thank you in advance
--
Beth Ashbirdge
Department of Chemistry
University College,
Durham University,
UK
--
Beth Ashbirdge
Department of Chemistry
University College,
Durham University,
UK
-------------- next part --------------
A non-text attachment was scrubbed...
Name: questiondms
Type: application/octet-stream
Size: 837 bytes
Desc: not available
Url : http://blur.compbio.ucsf.edu/pipermail/dock-fans/attachments/20051115/7018e954/questiondms.obj


More information about the Dock-fans mailing list