I've implemented preliminary altloc handling for CIF files in the
prototype.
See http://www.stolaf.edu/people/hansonr/jmol/test/proto/altloc.htm
very nice
can also use
select *%
OK
to indicate "all atoms that have no alternate specification", so then
we have:
select *% or *%1 # conformation 1
select *% or *%2 # conformation 2
this didn't work for me:
jmolApplet0: unrecognized expression token:* : select *% or *%1
line#1 :: select *% or *%1
only
select *%1 or *%
is as expected.
RasMol cartoons and such won't render quite correctly, I think. My
guess is that they will take either the first or the last conformation
only, but I don't have an example file to test that.
RasMol-->Jmol: exchanging ; by % would lead to the same result in Jmol
select 54 # all
select 54 and *;A # only AltLoc A part
select 54 and not *;B # AltLoc A part together with the common backbone
atoms
I also added %A for label display of the altloc identifier and added
"%n" to the %U label format.
Those interested -- tell me what you think.
great, please add it to trunk and PDB file loader.
Miguel, are you SURE there is this "run" business?
What are some more files we can test this on? (1skt is over 30 models
and 5 Mb -- any others?)
1h6d 1i54 1i55 1isc 1jfb 1jfc 1jze 1jzj 1k2o 1mng
Regards, Jan
-------------------------------------------------------
Using Tomcat but need to do more? Need to support web services, security?
Get stuff done quickly with pre-integrated technology to make your job easier
Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo
http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642
_______________________________________________
Jmol-users mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-users
