MBG wiki: Details for each project

Difference (from prior major revision)

Changed: 1c1

< ||project||initial pdb||psfgen||minimization||psfgen||solvation/ionization||box size||

to

> ||project||initial pdb||psfgen||minimization||psfgen||solvation/ionization||box size & center||

Changed: 3c3

< ||native_flin||1o6a.pdb->remove water, multiple conformations & rename MSE to MET->align->rename HIS to HSE->separate chains||[[psfgen.com]]|| - || - ||Cfinal=0.1M NaCl, 14 Na & 7 Cl were added, charge before=-7e, charge after=2.5||

to

> ||native_flin||1o6a.pdb->remove water, multiple conformations & rename MSE to MET->align->rename HIS to HSE->separate chains||[[psfgen.com]]|| - || - ||Cfinal=0.1M NaCl, 14 Na & 7 Cl were added, charge before=-7e, charge after=2.5||(89.96, 66.47, 64.84) & (3.27, -1.29, -0.76)||

project	initial pdb	psfgen	minimization	psfgen	solvation/ionization	box size & center
native_qb	1o9y.pdb->remove water->align->rename HIS to HSE->separate chains	psfgen.com?	-	-	box size: use molecular dimensions boundary: 2.4A box padding: 15A, Cfinal=0.1M NaCl? x Na & y Cl were added, charge before=-20e, charge after=1
native_flin	1o6a.pdb->remove water, multiple conformations & rename MSE to MET->align->rename HIS to HSE->separate chains	psfgen.com?	-	-	Cfinal=0.1M NaCl?, 14 Na & 7 Cl were added, charge before=-7e, charge after=2.5	(89.96, 66.47, 64.84) & (3.27, -1.29, -0.76)
AD_dimer
BC_dimer
T40I_qb
T40Y_qb
T40W_qb
I41W+qb