Help create a database of summaries of SOLVEd and unSOLVEd datasets!
At the suggestion of Jim Knox, I would like to assemble a database of
information on SOLVEd and unSOLVEd structures. The main idea is to
tabulate values of the Z-scores that have led to successful or
unsuccesful solutions, but at the same time I'd like to collect other
useful information as well.
You can help by sending me your input and output summary files and any
other information you'd like me to have (e.g., publications resulting from
using SOLVE). Please use the Subject line to indicate if the structure is:
- SOLVEd or unSOLVEd
- RESENT (if you're fixing a mistake or something)
- STRUCTURE 1 (2 3 4 if you're sending more than one)
For unSOLVEd structures please indicate if the same data was used to solve
the structure in some other way.
It is easiest for me if you put all this information in one email message.
Here is one way to do that (any way is fine as long as the information is
in one email and not sent as attachments):
- Go to the directory where you ran SOLVE
- Create a file called "solve.notes"
- Type into "solve.notes" keywords followed by
things you'd like me to know:
- PUBLICATION
- PROTEIN
- MASS
- RESIDUES
- NCSYM
- OTHER
- This directory should now contain:
- solve.notes
- solve.com
- solve.setup
- solve.prt
- Edit the following and use it to send me these files as an email:
( echo "Subject: SOLVEd structure" ; \
cat solve.notes solve.setup solve.com solve.prt ) | \
mail terwilliger@lanl.gov
[The parentheses, the quotes, the semicolon, the backslashes, echo, cat,
and the vertical bar are required here, but you can change the names of the
files or add something to the end of the subject line inside the quotes
if you like.]
I'll be looking forward to seeing your results!
-Tom Terwilliger