atomselect_macros.tcl

# +-----------------------+
# | Atom selection macros |
# +-----------------------+

atomselect macro p protein
atomselect macro l {lipid or resname OCT}
atomselect macro i ions
atomselect macro w {resname SOL TIP TIP3 TP3M TP3E TP3P TIP4 TIP5 ST2 SPC WAT H2O WTR}

# From Giacomo
atomselect macro noh { not hydrogen }
atomselect macro pnoh { protein noh }
atomselect macro bb { (backbone or name "H") }
atomselect macro bbnoh { ((name "C") or (name "N") or (name "CA")) }
atomselect macro Ca { alpha or (name "CA" and not resname "CA") }
atomselect macro side { sidechain or Ca }
atomselect macro side_noh { side and noh }
atomselect macro calcium { name "Ca\+" or resname "CA" or resname "CAL" }
atomselect macro sodium { name "Na\+" or resname "NA" }

atomselect macro sc { resname CLOL CHL1 "CER.*" BENA BENP }

# added Jerome's lipids and cholesterol
#atomselect macro lipid { resname DLPE DMPC GPC LPPC PALM PC PGCL POPC POUC POPE CHL1 CLOL DPPC SAPC }

## All the lipids from CHAMM36 topologies
atomselect macro lipid { resname LPPC DLPC DLPE DLPS DLPA DLPG DMPC DMPE DMPS DMPA DMPG DPPC DPPE DPPS DPPA
    DPPG DSPC DSPE DSPS DSPA DSPG DOPC DOPE DOPS DOPA DOPG POPC POPE POPS POPA POPG SAPC SDPC SOPC DAPC CLOL CHL1}
atomselect macro lnoh { lipid noh }

atomselect macro pchead {lipid and name N C13 C14 C15 C12 C11 P O13 O14 O11 O12 C1 C2 O21 C21 O22 C22 C3 O31 C31 C23 }



## NAVAB