Table 2.
Combination | Template 1 | Template 2 | Template 3 | Template 4 |
1 | ✓ | |||
2 | ✓ | |||
3 | ✓ | |||
4 | ✓ | |||
5 | ✓ | ✓ | ||
6 | ✓ | ✓ | ||
7 | ✓ | ✓ | ||
8 | · | ✓ | ✓ | |
9 | ✓ | ✓ | ||
10 | ✓ | ✓ | ||
11 | ✓ | ✓ | ✓ | |
12 | ✓ | ✓ | ✓ | |
13 | ✓ | ✓ | ✓ | |
14 | ✓ | ✓ | ✓ | |
15 | ✓ | ✓ | ✓ | ✓ |
To explore the effect of the number and diversity of templates on RAPPER building using the Standard mode of conformer generation, fifteen combinations as shown in the table where used. Template 1 was closest by PID to the target with Template 4 the most remote.