Selections-Singlewords说明

all：所有原子

none：不选择任何原子

backbone：生物大分子骨架

sidechain：生物大分子侧链

protein：蛋白

nucleic：核酸

water：水

waters：水，暂不知有啥区别

vmd_fast_hydrogen:氢元素

helix：螺旋结构

alpha_helix：标准的alpha螺旋

helix_3_10:螺旋的第3-10个

pi_helix：含Π的螺旋结构

sheet：折叠

betasheet：β折叠

beta_sheet：β折叠(与上面的没区别)

extend_beta：

brigdge_beta：折叠键桥

turn：折叠

coil：无规律松散结构

at = resname ADE A THY T

acidic = resname ASP GLU

cyclic = resname HIS PHE PRO TRP TYR

acyclic = protein and not cyclic

aliphatic = resname ALA GLY ILE LEU VAL

alpha：protein and name CA/蛋白质的alpha碳

amino：protein

aromatic：resname HIS PHE TRP TYR

basic：resname ARG HIS LYS HSP

bonded：numbonds > 0/成键原子

buried：resname ALA LEU VAL ILE PHE CYS MET TRP

cg：resname CYT C GUA G

charged：basic or acidic

hetero：not (protein or nucleic)

hydrophobic：resname ALA LEU VAL ILE PRO PHE MET TRP

small：resname ALA GLY SER

medium：resname VAL THR ASP ASN PRO CYS ASX PCA HYP

large：protein and not (small or medium)

neutral：resname VAL PHE GLN TYR HIS CYS MET TRP ASX GLX PCA HYP

polar：protein and not hydrophobic

purine：resname ADE A GUA G

pyrimidine：resname CYT C THY T URA U

surface：protein and not buried

lipid：resname DLPE DMPC DPPC GPC LPPC PALM PC PGCL POPC POPE

lipids：lipid

ion：resname AL BA CA CAL CD CES CLA CL CO CS CU CU1 CUA HG IN IOD K LIT MG MN3 MO3 MO4 MO5 MO6 NA NAW OC7 PB POT PT RB SOD TB TL WO4 YB ZN ZN1 ZN2

ions：ion

sugar：resname AGLC

solvent：not (protein or sugar or nucleic or lipid)

glycan：resname NAG BGLN FUC AFUC MAN AMAN BMA BMAN

carbon：C元素

hydrogen：H元素

nitrogen：N元素

oxygen：O元素

sulfur：S元素

noh：非氢原子

heme：resname HEM HEME

altloc ""

altloc "" or altloc "A"

drue：type DRUD or type LP