| Re: How to perform general R group searches in DW [message #1463 is a reply to message #1458] |
Tue, 11 January 2022 07:06   |
nbehrnd
Messages: 224
Registered: June 2019
|
Senior Member |
|
|
Dear JonW,
at least the nightly-builds version of DW contains a function to define a substructure query. Follow Chemistry -> From Chemical Structure -> Add Substructure Count to open a new instance of the sketcher, and decide in favour/against the criterion of overlapping substructure matches. In the matrix view, you obtain a new column with the number of occurrences of the pattern; at the right hand side, there will be a new slide ruler to filter the display. By substructure, one may define queries permitting more than one atom type on one site, too:
Norwid
-
Attachment: 01.png
(Size: 53.10KB, Downloaded 237 times)
-
Attachment: 02.png
(Size: 31.65KB, Downloaded 233 times)
-
Attachment: 03.png
(Size: 25.74KB, Downloaded 227 times)
-
Attachment: 04.png
(Size: 31.28KB, Downloaded 738 times)
|
|
|
|
Search
Help
Members
Register
Login
Home
