rasmol: 'write' in script does not write the file

Bug #1219686 reported by Daniel Franke on 2013-09-02
6
This bug affects 1 person
Affects Status Importance Assigned to Milestone
rasmol (Ubuntu)
Undecided
Unassigned

Bug Description

Let there be a foo.pdb file ...

$ cat << EOF > foo.cmd
background white
load foopdb
spacefill on
write epsf foo.eps
EOF

$ rasmol -nodisplay -script foo.cmd

Note:
 (1) although "nodisplay" was specified, the display opens (#1219680)
 (2) the script seems to stop after "spacefill"
 (3) foo.eps is not written
 (4) adding 'exit' doesn't seem to have any effect
 (5) adding 'quit' closes the window but triggers an assert (#1219683) and still does not write foo.eps

Typing the same sequence of commands into the command prompt (F7), foo.eps is written correctly. A bit tricky to do for N >> 1 input pdb files.

Daniel Franke (franke-daniel) wrote :

To note: /usr/bin/rasmol (eventually) points to rasmol-gtk.

With rasmol-classic I get:

$ rasmol-classic -nodisplay -script foo.cmd
RasMol>
write epsf foo.eps
^
"foo.cmd", line 4: Command disabled in script file!

Which is an improvement as it at least tells why nothing happens - but still bad as it doesn't allow me to do what I want.

Daniel Franke (franke-daniel) wrote :

And this, finally, does what I want:

$ rasmol-classic -nodisplay < foo.cmd
[...]
Display window disabled!
RasMol> background white
RasMol> load foo.pdb
[...]
RasMol> spacefill on
RasMol> write epsf foo.eps
RasMol> quit

... and foo.eps is there. Btw, rasmol-gtk does not allow to do this (and it is the default alternative).

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