Timothy Driscoll wrote:
a) both connect and wireframe have a dependence upon the set
bondmode setting.
b) the sequence:
select carbon
connect 1.5 (hydrogen)
adds C-H bonds, but then, right after it,
connect double
is unpredictable. One then needs to specify
set bondmode OR
first to do that.
I don't follow; sorry. both commands are dependent on the currently
selected set, which is determined (in part) by the bondmode setting.
I'm not sure why it is necessarily unpredictable.
It isn't unpredictable if you know the state of bondmode (OR or AND).
select carbon
connect 1.5 (hydrogen)
is independent of bondmode
select carbon
connect 1.5 (hydrogen)
connect double
makes C-H bonds, then looks for all C-C bonds and changes them to double
if bondmode=AND or selects all bonds to C and changes them to double if
bondmode=OR.
Really, I think the best solution is to have one simple command:
connect <min distance> <max distance> (atom expression) <bond type>
Then I'd certainly be happy not having anything more to do with wireframe.
Bob
c) This is very hard to explain! I would much rather see the SINGLE/
DOUBLE/etc. back in
wireframe, where the discussion of set bondmode is appropriate for
other reasons as well.
I would rather see wireframe limited to changing how the bonds are
displayed, and not able to affect connectivity or bond order. <shrug>
Miguel wrote:
I think there are two concepts:
- the connections/bond -> connect
- the visualisation of the connections/bonds -> wireframe
As I have posted before, I also think it makes more sense to have
display-rendering under WIREFRAME and bonding under CONNECT
and this will mean not only
"connect delete".
but also
"connect single|double|triple|aromatic|hbond"
Correct, I intended to include
connect single|double|triple|aromatic|hbond
in this as well.
Miguel
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