From: Miguel Howard <mth@mt...> - 2003-11-27 15:43:23
I have a detailed question about the behavior of atom specifications in
We think we understand what is intended by the expressions
Presumably, the first selects all iron atoms and the second selects
alpha carbons. But the second case gets a little more interesting if you
put a calcium atom in the file.
Q: There is a calcium atom in the .pdb file and we evaluate the
expression 'select *.ca' ... Should the calcium atom be selected?
Q: Is the *desirable* behavior different from the RasMol/Chime
The problem is that the atom name field in the .pdb file is 4 characters
long. Given less than 4 characters to 'pattern match', the challenge is
to figure out how to do the comparison.
Q: For compatibility with existing RasMol/Chime scripts, is my concern
about this issue even warranted?
Get latest updates about Open Source Projects, Conferences and News.