Rotamer libraries¶
This package contains the MTSL rotamer library R1A_298K (2011) [Polyhach2011] and an updated MTSL rotamer library R1A_298K (2015) (which is the default library for MTSL in MMM since version 2015.1).
Both libraries were provided by Gunnar Jeschke. The libraries are published under the GPL with his permission.
name |
spin-label |
ID |
year |
citation |
|---|---|---|---|---|
‘MTSSL 298K 2011’ |
MTSL |
R1A_298K |
2011 |
|
‘MTSSL 298K 2015’ |
MTSL |
R1A_298K |
2015 |
The included libraries are listed in Table Rotamer Libraries (see
also rotcon.libraries.LIBRARIES). The name in the table is
used to select the library with the --libname NAME option of the
scripts.