Chemistry Reference
In-Depth Information
13.5.3 molview
The
molview
utility takes two arguments: the name of the schema con-
taining structures previously loaded, and a SMILES or SMARTS string.
Like the
molgrep
command, the result is a list of SMILES and names that
match the SMARTS string or that contain the SMILES as a substructure.
However, the results are formatted using HTML and javascipt to call the
Marvin applet to display the structures. The atoms in each structure that
match the SMARTS or SMILES argument are colored. If no SMILES or
SMARTS argument is given, the structures in the entire table are output.
The command
molview vla4 'c1ccccc1C(=O)' >mtest.html
results in the following display in a Web browser. Note that the Marvin
applet
1
must be downloaded and made available to the Web server being
used. Figure 13.4 shows the output as viewed in a Web browser.
F
F
CI
CI
F
F
HN
O
HN
O
O
O
OH
OH
O
N
HN
N
HN
O
CH
3
CH
3
NN
N
N
O
O
CH
3
CH
3
H
3
C
H
3
C
S
S
N
N
O
O
O
O
CI
CI
NH
NH
H
N
HO
HO
H
N
O
O
O
O
CI
CI
Figure 13.4
Structures displayed using Marvin and output from molview utility
command.
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