标题: 求助：用Dynamical Network Analysis节点怎么设置？ [打印本页] 作者Author: hyr95 时间: 2020-9-13 19:46 标题: 求助：用Dynamical Network Analysis节点怎么设置？ >Dcds
../1.network preparation/gluRStRNA.dcd
>SystemSelection
(chain P N X) and (not hydrogen)
>NodeSelection
(name CA P) or (resname CYT URA and name N1) or (resname ADE GUA GOM
and name N9)
>Clusters
N9 ADE name N9 C8 N7 C5 C6 N6 N1 C2 N3 C4
P ADE name P O1P O2P O5’ C5’ C4’ O4’ C1’ C3’ C2’ O2’ O3’
N1 CYT name N1 C2 O2 N3 C4 N4 C5 C6
P CYT name P O1P O2P O5’ C5’ C4’ O4’ C1’ C3’ C2’ O2’ O3’
N9 GUA name N9 C8 N7 C5 C6 O6 N1 C2 N2 N3 C4
P GUA name P O1P O2P O5’ C5’ C4’ O4’ C1’ C3’ C2’ O2’ O3’
N1 URA name N1 C6 C5 C4 O4 N3 C2 O2
P URA name P O1P O2P O5’ C5’ C4’ O4’ C1’ C3’ C2’ O2’ O3’
P GOM name P O1P O2P O3P O5’ C5’ C4’ O4’ C1’ C3’ C2’ O2’ O3’
CA GOM name N CA CB CG CD OE1 OE2 C O
>Restrictions
notSameResidue
notNeighboringCAlpha
notNeighboringPhosphate