Index

2Fo-Fc map

2Fo-Fc map

example of creating a

3Fo-2Fc map

ACCEPT statement

ADD command

AGARWAL command

AGARWAL command

example of

Amsom|seeFile formats

APPLY command

ASSUME statement

Asymmetric units

correcting coefficients

in real space

in reciprocal space

ATOMx statement

Averaging maps

Calculating `calculated' map

Calculating Fc's

Calculating Patterson map

CATEGORY statement

CELL statement

centric zone

CHAIN statement

CHANGE command

CLUSTER statement

Coefficients

converting to map

converting to peaks

COMBINE statement

Conjugate direction|seePreconditioned conjugate gradient

Conjugate gradient

CONNECT statement

CONSTANT statement

CONTACT Statement

Control program|seeShift

Convert(program)

Coordinates

converting to coefficients

converting to map

COPY command

CRVAC statement

CRVBC statement

CRVC statement

CURVATURE command

in Geometry

in NCS

in Rfactor

DANGLING statement

DIAMOND command

Diamond|seeFile formats

Difference Patterson map

DRVx statement

Dscreen(program)

DSN2 command

EXCLUDE statement

FC statement

File formats

Amsom

producing

Diamond

limitations

producing

reading

DSN6 map

Definition of

Frodo DSN2

Definition of

limitations

producing

reading

Frodo DSN6

producing ,

Hendrickson

limitations

producing

reading

PDB

limitations

producing

reading

REFI geometry

conversion to

TNT ATOMx

Definition of

producing

TNT HKL

Definition of

producing ,

reading|seeFILE statement

TNT MAP

Definition of

producing ,

reading|seeFILE statement

TNT PACKED

Definition of

producing ,

reading|seeFILE statement

FILE statement , ,

Fixing parameters

Fo-Fc map

Fo-Fc map

example of creating a

finding peaks in

Fo-Fo map

Fo-Fo map

example of creating a

finding peaks in

FORMFACTOR statement

FO statement

Fourier(program)

Frodo DSN2|seeFile formats

Frodo DSN6|seeFile formats

FUNCTION command

in Geometry

in NCS

in Rfactor

FUNCVAL statement

Gather_map(program)

gather_map script

GATHER command

Geometry(program)

Geometry(program)

example in long loop ,

example in short loop

GEOMETRY statement

Gradient/curvature

GRADIENT command

in Geometry

in NCS

in Rfactor

GRID statement

HENDRICKSON command

Hendrickson|seeFile formats

INCLUDE command

JIGGLE command

LATTICE statement

LINK statement

Long loop , ,

Map

converting to coefficients

finding peaks in

ncs averaging

MAXSHIFT statement

Minimization method

conjugate direction|seePreconditioned conjugate gradient

conjugate gradient

gradient/curvature

preconditioned conjugate gradient

steepest descent

Module

creating you own

Crystallographic

definition

Noncrystallographic symmetry

Phase

Phase

example in long loop

example in short loop

Real space

Real space

example in long loop

example in short loop

Rotation function

Rotation function

example in long loop

example in short loop

Stereochemistry

MOSES option

NCS(program)

NCS(program)

example in long loop ,

example in short loop

ncs averaged map

ncs averaged map

producing

NORMAL_MATRIX command

example of

in Rfactor

OPERATOR statement

OPTION statement

Overlay(program)

Overlay(program)

arbitrary transformation

superimposing Bchl rings

superimposing two chains

symmetry expansion

OVERLAY command

Patterson map

calculating

pdb2dsn2 script

PDB command

PDB|seeFile formats

Peak picking

Preconditioned conjugate gradient

PUNCH command

general usage

in Convert

in Fourier

in Gather_map

in NCS

in Overlay

in Rfactor

in Solvent

RENAME command ,

REPORT

FILE command

GEOMETRY command

RFACTOR command

SPACEGROUP command ,

STRUCTURE command

SYMMETRY command

report_geo script

RESIDUE statement

RESOLUTION statement

Rfactor(program)

Rfactor(program)

example in long loop ,

example in short loop

example of AGARWAL command

example of NORMAL_MATRIX command

Rigid body refinement

Rigid Body Refinement

and water

RMSTEP statement

Scaling Fo's and Fc's

Scaling Fo's and Fc's

restricting scale parameters

SCATTER command

SCREEN command

in Dscreen

in Geometry

in NCS

script

gather_map

pdb2dsn2

report_geo

tnt_cycle_con_ncs

tnt_cycle_ncs

SELECT statement

SET statement

in Rfactor

in Solvent

Shift(program)

Shift(program)

example in long loop

example in short loop

Short loop , ,

SIM statement

Solvent(program)

Solvent(program)

creating a flattened map

creating an envelope

Solvent flattened map

producing

Solvent flattening|seeSolvent(program)

Space groups

implemented

Steepest descent

Superimposing models|seeOverlay(program)

TARGET statement

tnt_cycle_con_ncs script

tnt_cycle_ncs script

TNT ATOMx|seeFile formats

TNT HKL|seeFile formats

TNT MAP|seeFile formats

TNT PACKED|seeFile formats

TRANSFORMATION statement

VERBOSE option

in Fourier

in Gather_map

in Shift

in Solvent

Wang envelope

producing

Wang envelope|seeSolvent(program)

WEIGHT statement

WEIGHT statement

in Geometry

in NCS

in Rfactor

Wilson B Factor