Jan wrote:
-----------------
connect:
action: creates/removes bonds and changes bond order
Currently requires a previous select command
if NOTEXISTS would be implemented too
In my prototype it's "NEW", but it could be "NOTEXISTS" -- your choice.
, e.g. INCREMENT could be simulated (in most cases)
connect 1.2 1.36 DOUBLE EXISTS (nitrogen) (carbon)
connect 1.36 1.4 SINGLE NOTEXISTS (*.N???) (carbon)
there is a *problem* with this command, using H2C=CH2 I run
connect 0.0 5.5 DELETE (all) (all)
connect 0.8 1.2 SINGLE (carbon) (hydrogen)
connect 1.2 1.6 DOUBLE (carbon) (carbon)
connect 1.2 3.2 HBOND (carbon) (hydrogen)
now no HBOND (or SINGLE if I tried) was formed though (by simple
distance criteria) there should be
good catch. The connect command is working, but HBOND rendering needs a
default value for the width of the line connecting the atoms. Right now
it's starting as 0. This is accomplished using the
hbond <width in angstroms>
command. Perhaps we should have a default there. Suggestions? What's the
default for Rasmol?
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