Isabelle Phan wrote
> Dear All,
>> Please can anyone explain to me why $name is not replaced by its value
> in the following statement:
>> X-PLOR>for $resid in ( 7 8 31)loop meth
> FOR LOOP: symbol RESID set to 7.00000 (real)
> X-PLOR> eval ($name = "HA*")
> EVALUATE: symbol $NAME set to "HA*" (string)
> X-PLOR> coor sele= (segid "" and resid $resid and name $name) end
> SELRPN: 0 atoms have been selected out of 621
> ^^^
> COOR: using atom subset.
> X-PLOR> coor sele= (segid "" and resid $resid and name HA*) end
> SELRPN: 2 atoms have been selected out of 621
> ^^^
> COOR: using atom subset.
>> --
The convention has changed such that wildcards in string variables are not
translated any more; an atom HA* (with an asterisk in the name) is selected
in your case.
The workaround for the above script is using the new bondedto selection:
eval ($name = "HA1")
coor sele= (segid "" and resid $resid
and bondedto (bondedto (name $name)) and name h*)
bondedto (bondedto (name ha1))
selects all atoms that are bonded to the heavy atom that is bonded to ha1.
