[EMAIL PROTECTED] wrote: >Just want to point out something I noticed when writing the scientific >notation compiler modification: > >Generally you don't need [] around residue names -- > >select ALA >select LEU > >but if that residue starts with a number: > >5EE >2E1 > >then brackets have been (and continue to be) required. > >Am I right that with Jmol you could not (ever?) say > >select 5EE > >but you could certainly say > >select [5EE] > >With scientific notation introduced, I looked through the ENTIRE heterogen >dictionary for complications and only find one: 2E1. This is compiled as >"100.0" and at first I thought that would be a problem. But then I >realized that "5EE" doesn't work by itself either, because it is taken as >the integer 5 followed by "EE". > >I believe the advantage to being able to use integers and scientific >notation outweighs the inconvenience of needing to use brackets, and I'm >interested in others' opinions on this. > >If you have a site that allows for selecting ANY HETATM residue, I >recommend ensuring that your code uses those brackets. I just changed the >pop up menu so that it does, as without it 2cct throws an error when the >user tries to select the 2E1 residue using the menu. > > But this doesn't prevent all problems. Even within brackets hetero component names that are token names (e.g. [AND] in PDB entries 1coy,1e3r,1j99,1q22 and 3dhe) will produce an error. My current workaround for this problem is to use the residue number + insertion code + chain to select any hetero component.
Regards, Rolf ------------------------------------------------------------------------- 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-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
