E: Sub Index for SYBYL and UNITY Documentation


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Numerics A B C D E F G H I J K L M N O P Q R S Symbols T U V W X Z


ED50, definition
EDF file, defining
Edit
hits and hitlists
syb3dbserver command
UNITY queries
text files
EDITOR
Eigenvalues graph
Eigenvectors
Electron density
creating contour file
creating slicing planes
surface
theory
Electronic energy
Electrostatic energy
computation
Kollman energy term
MMFF94 energy term
Tripos energy term
Electrostatic field lines
Electrostatic isopotential
Electrostatic potential
color scheme in MOLCAD
color scheme in MOLCAD
contour file
parameters
theory
tutorial
creating contour files
creating contour files from a connolly surface
creating iso surfaces
creating slicing plane
Electrostatic property, compare to MOLCAD
Elitism
Encoded flag (HQSAR)
Encryption
tps
End group modeling
End SYBYL
Energy
column type
kinetic
minimization methods
parameters
AMBER4.1 FF95
AMBER7_FF02
AMBER7_FF99
Kollman
Tripos
potential
electronic
nuclear repulsion
systematic search
TAILOR MAXIMIN2
Energy expression
angle bending
MMFF94
Tripos
angle constraint, Tripos
bond stretching
MMFF94
Tripos
distance constraint, Tripos
electrostatic
MMFF94
Tripos
hydrogen bonding
Tripos
Kollman and AMBER force fields
MMFF94 force field
multifit, Tripos
out of plane bending
MMFF94
Tripos
range constraint, Tripos
stretch-bend
MMFF94
torsion
MMFF94
Tripos
torsion constraint, Tripos
Tripos force field
van der Waals
MMFF94
Tripos
ENERGY fitness function term
Enhance performance
Ensembles in dynamics
Enumeration
combinatorial library
definition
dialog boxes
Enumeration
example
tutorial
Environment
defining manually
Environment variable
DBTRANSLATE_MAX_CONF
partner product-related
PERCEIVE_RING_BONDS
predefined by SYBYL
site-specific variables
SYBYL-related
TA_3DB_HITS_DAYS
TA_3DB_HITS_DIR
TA_3DB_HITS_SEARCHES
TA_3DB_TABLES
TA_AMIDE_TOLERANCE
TA_FILE_PATH
TA_MAX_TIME_PER_STRUCT
TA_SEARCH_PROPERTY_DATA_DEFAULT
TA_TPS_DAEMON_PORT
TA_UNIQ_MINTIMEOUT
TA_UNIQ_TIMEOUTINC
UNITY-related
UNITY_FAST_PARTIALS
UNITY_FLEX_ADJUST
UNITY_FLEX_MODE
UNITY_LIPINSKI_COUNT
UNITY_MAXACCEPTORS
UNITY_MAXDONORS
UNITY_MAXMLOGP
UNITY_MAXMOLWEIGHT
UNITY_MAXROTBONDS
UNITY_MAX_ITER
UNITY_MAX_RESETCOUNT
UNITY_MAX_STEPCOUNT
UNITY_MIN_GRADIENT
UNITY_PP_COUNT
UNITY_STATIC_FIRST
UNITY_TARGET_FACTOR
EDITOR
SAVE_SESSION_DIR
TA_HIDE_UNLICENSED_PRODS
Environment variables
JAVA_HOME
PVM_ROOT
ENVIRONMENT_SCRIPT (tps)
Eraser tool
Error codes
Error codes
Error codes
license manager
Error reporting
Errors
Essential hydrogens
EVA
adding column
column type
theory
Tutorial
Evaluating
center of mass
centroid
extension point
line
normal
plane
Evaluation SPL macro
Exact match search
operator
query format
save query
search setup
syb3dbserver
theory
UNITY EXACT_MATCHSEARCH
UNITY EXACT_MATCHSLNSEARCH
Examine
dialog box
protein properties
TAILOR
Examples
3D coordinate set
add 3D conformations
aromatic normalization
compute/search fingerprints
concord.pref file
counter statement for molecular formula search
Deferred Macro
SLDINFO
Defining Objects in .core files
@EXPRESSION_GENERATOR
@MACRO
@VARIABLE
@VARIABLE_TYPE_ENUM
Dialog SLDINFO
DIM tool
element analysis
Expression Generators
ABS
AND
ARG
ARRAY_CREATE
ARRAY_FREE
ARRAY_GET
ARRAY_SET
ARRAY_SIZE
ATOM_INFO
ATOMS
BASENAME
CASE
CASEIF
CAT
CLOSE
COUNT
DATABASE
DIR
EOF
EQ
FILE_DELETE
FLOOR
GT
IS_EXPR_GEN
LT
LTEQ
MATH
MOL_INFO
MOLEMPTY
MOLS
NEQ
NOT
OPEN
OR
PRINTF
PROMPT
PROMPTIF
PROMPTVAR
RAND
RANGE
READ
RETURN
SET_AND
SET_CREATE
SET_UNPACK
STREQL
SUBSCRIPT
SYSTEM
TABLE_FROM_MOLAREAS
VALUES
WRITE
extproc listener entry
FILTER
fingerprint metrics
customizing
FPRINT_INDEX_TYPE
FPRINT_OPS
get structures within MW range
import Mol2 file
LIPINSKI_FILTER package
listener.ora file
load property data
mark stereo centers in MDL molfiles
modify filter interface
normalize SLNs
PARSE_OPS
PKG_FIND_DUPS
public synonyms
rule set definition
rules management
search
2D
counterions
create hitlist for SYBYL
exact match
islist
notlist
polymer
similarity
table based Markush query
with normalized queries
select, update, delete statements
server import API
SLN_OPS
SPL Commands
>(redirect)
>>(Append)
BREAK
CONTINUE
DECR
ECHO
FOR/ENDFOR
GLOBALVAR
GOTO
IF/ELSE/ENDIF
IF/ENDIF
INCR
LOCALVAR
RETURN
SETVAR
SWITCH/ENDSWITCH
WHILE/ENDWHILE
SPL variables
DEFAULT_AREA
NULLDEV
STATUS
SYBYL_VERSION
TAILOR!
split mix into fragments
standardization rules
fixing sketches
tautomer search
tnsnames.ora file
translate MDL molfiles
with IsisDraw look
TRANSLATE_OPS
UDCIMPORT
UDCINFO
UDCSEARCH
combined search
UDCTRANSLATE
UDC_CONFIG_MGMT
UDC_ERROR
UDC_OPTISIM
UDC_SEARCH
structure data retrieval
UDC_VERSION_INFO
User Defined Expression Generators
bad_factorial
factorial
Get_GUI_SLDINFO
RandomAtom
User Defined Macros
AmazingMacro
batch_calculate_table_charges
BetterMacro
Calculate_Table_Charges
COLOR_CHARGE
dir_of_mol
exec_sldinfo_exe
goto_example
list_properties
list_surfaces
ListChiral
mindbase
minmany
my_maximin
name
quadit
SLDINFO
space
squareit
TESTVAR2
TESTVARS
Exceed 3D
Exceptions file
Exceptions in importing
Exclusion constraints
receptor site
receptor site
Exclusions
Executables
dbmktuplets
directories
mkstream
Exit
hitlist manager
SYBYL
Exit Concord
Exit XConcord
Expand, tailor variable
Explanatory properties
Explicit data
column in table
Explicit mode
Export
molecular spreadsheet
syb3dbserver
Export example
schema contents
Exposed residues in proteins
example
Expression Attributes
Expression Generators
2D Sketcher
UNITY_2D_SKETCHER
Annotate
ANN_GENERATE_ID
ANN_TARGET_PLANE
Argument Type
IS_ENUM
IS_EXPR_GEN
IS_MACRO
IS_VAR
Associative array operations
SUBSCRIPT
Backgrounds
BKG_INFO
BKGS
Biopolymer
BIO_HAS_BFACTORS
BIO_IS_DISULFIDE
BIO_IS_PROTEIN
BIO_MON_ATTACH_BACKBONE
DICT_INFO
MONOMER_CHOICE
CoMSIA
COMSIA_INFO
Coordinates
TRANSFORM_BACK
TRANSFORM_POS
Database(SYBYL)
DATA_MODE
DATABASE
DATABASE_CLASS
DATABASE_CLASSES
DATABASE_MODE
DATABASE_NAME
DATABASE_SET
DATABASE_SETS
DATABASE_SUBSYS
Database(Tripos)
TDB_CLOSE
TDB_COLUMN_CREATE
TDB_GET_ATTRIBUTE
TDB_GET_COLNAME
TDB_GET_ROWNAME
TDB_OPEN
TDB_RCELL
TDB_WCELL
Defined array operations
ARRAY_COPY
ARRAY_CREATE
ARRAY_DELETE_ELEMENT
ARRAY_FREE
ARRAY_GET
ARRAY_INSERT_ELEMENT
ARRAY_MOVE_ELEMENT
ARRAY_POP
ARRAY_PRINT
ARRAY_PUSH
ARRAY_SET
ARRAY_SIZE
ARRAY_SORT
ARRAY_UNPACK
Dialog Operations
Clipboard
DIALOG_COPY_TEXT
DIALOG_CUT_TEXT
DIALOG_PASTE_TEXT
Create Items
DIALOG_CREATE_BOTTOM_BUTTON
DIALOG_CREATE_BUTTON
DIALOG_CREATE_CHECK
DIALOG_CREATE_COLORS
DIALOG_CREATE_EXTENDEDLIST
DIALOG_CREATE_HEADER
DIALOG_CREATE_LABEL
DIALOG_CREATE_LIST
DIALOG_CREATE_MENU
DIALOG_CREATE_MOL
DIALOG_CREATE_MULTILIST
DIALOG_CREATE_MULTITEXT
DIALOG_CREATE_RADIO
DIALOG_CREATE_RADIOS
DIALOG_CREATE_SCALE
DIALOG_CREATE_SCALE_FPT
DIALOG_CREATE_SEPARATOR
DIALOG_CREATE_TEXT
DIALOG_CREATE_TEXT_CR
DIALOG_CREATE_TOOLS
DIALOG_CREATE_VAR
DIALOG_CREATE_VARTYPE
Create/Destroy Dialog
DIALOG_CREATE
DIALOG_DESTROY
Create/Destroy Scenes
DIALOG_CREATE_SCENE
DIALOG_DESTROY_SCENE
Dialog Manipulation
DIALOG_DISABLE
DIALOG_ENABLE
DIALOG_LOWER
DIALOG_POSITION
DIALOG_POST
DIALOG_RAISE
DIALOG_RESIZE
DIALOG_UNPOST
Dialog Values
DIALOG_SET_HELP
DIALOG_SET_HELP_TOPIC
DIALOG_SET_TEXT_INCLUDE_NEWLINES
DIALOG_SET_TITLE
Interaction
DIALOG_NOTIFY_ITEMS
DIALOG_POST_NOTIFY
DIALOG_POST_WAIT
Item Layout
DIALOG_SAME_LABEL_WIDTH
DIALOG_SET_LIST_HEIGHT
DIALOG_SET_TEXT_WIDTH
DIALOG_SET_TEXT_WRAP_SIZE
Item Manipulation
DIALOG_SELECT_TEXT
DIALOG_SET_DEFAULT_BUTTON
DIALOG_SET_TEXT_POS
DIALOG_SHOW_TEXT_END
Item Values
DIALOG_GET_VALUE
DIALOG_LIST_GET_COLUMNS
DIALOG_SET_VALUE
Layout
DIALOG_BEGIN_COLUMN
DIALOG_BEGIN_ROW
DIALOG_CHANGE_DIRECTION
DIALOG_END_COLUMN
DIALOG_END_DIRECTION
DIALOG_END_ROW
List Manipulation
DIALOG_LIST_CREATE_COLUMNS
DIALOG_LIST_DELETE
DIALOG_LIST_DELETE_SELECTED
DIALOG_LIST_INSERT
DIALOG_LIST_INSERT_COLUMNS
DIALOG_LIST_INSERT_NO_DUP
DIALOG_LIST_INVERT
DIALOG_LIST_REPLACE
DIALOG_LIST_SELECT_ALL
DIALOG_LIST_SELECT_COLUMN
DIALOG_LIST_SET_COLUMNS
DIALOG_SET_LIST_BY_INDEX
DIALOG_SET_LIST_BY_POS
Modify Items
DIALOG_CHANGE_LABEL
DIALOG_CHANGE_LABEL_BITMAP
DIALOG_CHANGE_OPTIONS
DIALOG_CHANGE_OPTIONS_BITMAP
DIALOG_CHANGE_SCALE_FPT
DIALOG_DISABLE_ITEMS
DIALOG_DISABLE_LIST
DIALOG_DISABLE_OPTIONS
DIALOG_EDITABLE_ITEMS
DIALOG_ENABLE_ITEMS
DIALOG_ENABLE_OPTIONS
DIALOG_POINTER
DIALOG_READONLY_ITEMS
Display Operations
DSP_BKG_COLOR
DSP_BKG_GET_STATUS
DSP_BKG_STATUS
DSP_HILITE_ATOM
DSP_HILITE_ATOMS
DSP_HILITE_BOND
DSP_HILITE_BONDS
DSP_MOL_GET_STATUS
DSP_MOL_STATUS
DSP_UNHILITE_ATOMS
DSP_UNHILITE_BONDS
File Operations
ACCESS
BASENAME
CLOSE
DIR
DIRNAME
EOF
FILE_CLEAN_FILENAME
FILE_COPY
FILE_DELETE
FILE_EDIT
FILE_EXISTS
FILE_EXTRACT
FILE_FIND_IN_FILEPATH
FILE_ISDIR
FILE_MAKE_DIR
FILE_RENAME
FILES
FIND_TEMP_FILENAME
FSTATUS
OPEN
READ
REWIND
WRITE
WRITENOCR
Force Field
CONSTRAINT_ATOMS
CONSTRAINT_ENERGY
CONSTRAINT_EQUIL
CONSTRAINT_FORCE
CONSTRAINT_IDS
CONSTRAINT_IDS_VIOLATED
CONSTRAINT_VIOLATION
ENERGY
PARAM
PARAM_NREC
TRIPOSFF_TYPE
GrList Operations
SLN_GRLIST_CREATE
SLN_GRLIST_FREE
SLN_GRLIST_INIT
SLN_GRLIST_POST
SLN_GRLIST_UNPOST
HQSAR
HOLO_CLEAR
HOLO_CRCS
HOLO_HASHED
HOLO_LIST
HOLO_MODULO
HOLO_SPECIFIC
Licenses
LICENSE
List Operations
ARG
ARRAY_NPOS
ARRAY_POS
CHOOSE
COUNT
ITEM_DROP
ITEM_INSERT
ITEM_REMOVE
ITEM_REPLACE
RSORT
RSORTN
SETARG
SORT
SORTN
VALUES
Logical Operations
AND
NOT
OR
Math Operations
Algebra
ABS
CEIL
EXP
FAC
FLOOR
INT
LN
LOG
MATH
PI
POW
PWR
ROUND
SGN
SQR
SQRT
Conditional
EQ
GT
GTEQ
LT
LTEQ
NEQ
Matrix
MAT_DIM
MAT_ELEM
MAT_PRINT
MAT_SIZE
number list
CHOOSE
MAX
MIN
random numbers
IRAND
RAND
Trig
ACOS
ASIN
ATAN
COS
COSH
SIN
SINH
TAN
TANH
Utilities
RANGE
ROOT
STATS
Vector
CROSS_PROD
DOT_PROD
MIDPOINT
UNITVEC
VEC_ADD
VEC_DIFF
VEC_MULT
Memory Operations
MEM_FAIL
MEM_MAX
MEM_NEXT_NUM
MEM_NOTIFY
MEM_PRINT
MEM_SET_FREQ
MEM_USED
Miscellaneous Utilities
GET_UIMS2_VERIFY
RETURN
Molcad Plus
MOLCAD_PLUS_INFO
MOLCAD_PLUS_STATE
Molecule
Atom Information
ANGLE
ATOM_INFO
ATOMS
CHIRAL
CONF_ATOMS
CONF_ATOMS_OMEGA
CONN_ATOMS
DISTANCE
ENERGY
EXTENT_3D
MON_ATTACH
MULT_ATOM_INFO
NEAREST_ATOM
RECNO_TO_ID
SURFACE_ATOMS
TORSION
Bond Information
BOND_INFO
BONDS
CHIRAL_BOND
RECNO_TO_ID
Change Molecule
ORIENT_MOL
TRIPOSFF_TYPE
Molecule Information
CLOGP
CMR
EXPR_INFO
MOL_AREA
MOL_INFO
MOL_VOLUME
MOL_WT
MOLEMPTY
MOLPROP_AREA
MOLPROP_PSA
MOLPROP_PV
MOLPROP_VOLUME
MOLS
New Format
SLN
SLN_TO_MOL
SLN3D_TO_MOL
SMILES
SMILES_TO_MOL
Sequence Information
SEQ_INFO
Sequence Operations
SEQUENCE_ALIGN
SEQUENCE_COPY
SEQUENCE_CREATE
SEQUENCE_DELETE
SEQUENCE_FTYPE
SEQUENCE_GET
SEQUENCE_MOL_ALIGN
SEQUENCE_MOL_RMSD
SEQUENCE_MOL_SYNC
SEQUENCE_MOL_TO_SEQ
SEQUENCE_OVERLAP
SEQUENCE_PID
SEQUENCE_PRINT
SEQUENCE_READ
SEQUENCE_SET
SEQUENCE_WRITE
SEQUENCES
Substructure Information
GSEQ
MULT_SUBST_INFO
RECNO_TO_ID
SUBST_INFO
SUBST_TO_SEQ
SUBSTS
PDB
PDBFILTER
PDBINFO
PDBRETRIEVE
Picking
SPACE_PICK
Printing
FORMAT
NEWLINE
PRINTF
WRITE_LINES
Scene Operations
SLN_GRLIST_POST
SLN_GRLIST_UNPOST
Search
SEARCH2D
SEARCH3D
SEARCH3D_CLEANUP
SEARCH3D_RETRIEVE
Set Operations
SET_AND
SET_CREATE
SET_DIFF
SET_MEMBER
SET_OR
SET_SIZE
SET_UNIQUE
SET_UNPACK
SLN Operations
CSLN_ATTRS
CSLN_CHOICES
CSLN_EXP_ATTR
CSLN_EXP_LIST_ATTRS
CSLN_NAMES
SLN
SLN_ATOM_COUNT
SLN_ATOM_SYMBOL
SLN_CT_ADD
SLN_CT_DELETE
SLN_CT_GENERATE
SLN_CT_READ
SLN_CT_WRITE
SLN_EXPLODE_CSLN
SLN_GENERATE_CSLN
SLN_GENERATE_FSLN
SLN_GET_MARKUSH_SLNS
SLN_GET_SLN_ATTR
SLN_GET_SLN_FROM_TABLE
SLN_MUTATE_SLN
SLN_PROPERTY
SLN_RGROUP
SLN_RGROUP_SLNID
SLN_RGROUP_SYBID
SLN_SEARCH2D
SLN_STRIPSALT
SLN_SYBID
SLN_TO_FSLN
SLN_TO_MOL
SLN_TO_UNIQUE_FSLNS
SLN_VERIFY
SLN3D_TO_MOL
SMILES Operations
SMILES
SMILES_TO_MOL
String Operations
ALPHANUM
CAT
EVAL
LOWERCASE
POS
SPLIT
STREQL
STRGT
STRGTEQ
STRLEN
STRLT
STRLTEQ
SUBSTITUTE
SUBSTR
UPPERCASE
Surfaces
GENSURF_INFO
GENSURF_UTL_INFO
GENSURFS
RAMP_RANGE_INFO
RAMPS_DISPLAYED
SURF_B_INFO
SURF_INFO
SURFS
SYBYL Help
BOOKSHELF_HELP
System
ENVIRONMENT
GETENV
NETBATCH_IS_JOB_ACTIVE
SYB_HEARTBEAT
SYSTEM
TERM_INFO
TIME
Table Graphs
GRAPH_INFO
GRAPH_NAME
Table Operations
Analysis
QSAR_ANA_FILE
QSAR_ANA_FILE_SET
QSAR_IS
QSAR_RETRIEVE
Attributes
RCELL_ATTR
TABLE_ATTRIBUTE
TABLE_GET_ATTRIBUTE
TABLE_SET_ATTRIBUTE
WCELL_ATTR
Cells
RCELL
RCELL_ATTR
RVECTORCELL
TABLE_DELETE_CELL_ITEMS
TABLE_GET_CELL_INDEX
TABLE_NUM_CELL_ITEMS
WCELL
WCELL_ATTR
WVECTORCELL
Information
COLUMN_TYPE_LIST
COSINECO
QSAR_COMFA_REGION
QSAR_HIER_FILTER
QSAR_HIER_LEVELS
QSAR_HIER_MEMBERS
QSAR_TABLE_MA
SPLCOLTYPE_INFO
SPLCOLTYPE_NAME
TABLE
TABLE_DATASOURCE
TABLE_DB
TABLE_DEFAULT
TABLE_NAME
TABLE_VERIFY_FILE
TANIMOTO
Miscellaneous Utilities
QSAR_COMFA_REGION_SET
TABLE_CLEAN_COLUMNNAME
TABLE_MOD_DB_DIR
Tailor Operations
TAILOR
Toolbar Operations
Create Items
TOOLBAR_CREATE
TOOLBAR_CREATE_BUTTON
TOOLBAR_CREATE_MAIN
Destroy Items
TOOLBAR_DESTROY
Information
TOOLBAR_GET_ATTR
TOOLBAR_BUTTON_EXISTS
TOOLBAR_CONFIGURE
TOOLBAR_DISABLE
TOOLBAR_DISABLE_BUTTON
TOOLBAR_ENABLE
TOOLBAR_ENABLE_BUTTON
TOOLBAR_MAIN
TOOLBAR_PALLET
TOOLBAR_POSITION
TOOLBAR_POSITION_BUTTON
TOOLBAR_POST
TOOLBAR_POST_BUTTON
TOOLBAR_SAVE_USER_CONFIG
TOOLBAR_SET_SPL
TOOLBAR_SET_TOOLTIP
TOOLBAR_UNPOST
TOOLBAR_UNPOST_BUTTON
TOOLBAR_WARN_WHEN_CHANGE
UNITY
Features
UNITY_CLOSEST_DISTANCE
UNITY_FEATURE_NAMES
UNITY_FEATURE_TYPES
UNITY_GET_FEATURE_ATTRS
UNITY_PICK_FEATURES
Servers
UNITYCOMMANDEXEC
UNITY_GET_VOL_ATTRS
UNITY_SLN3D
User Input
CASE
CASEIF
PROMPT
PROMPTIF
PROMPTVAR
PROMPTVARIF
Utility Dialogs
DIALOG_MESSAGE
Variable Operations
IS_ENUM
IS_VAR
SYB_INT
SYBVAR_TYPE
VAR_EXISTS
VARTYPE
VARTYPE_EXISTS
Extensible optimizer
Extension point
Extension point
VISUALIZE
data record in mol2 file
Extension point
Extension point
External ring
SYBYL object definition
extproc listener entry example
Extract structures
from database
O/S utility
syb3dbserver
from molecule area
Extrapolation in QSAR


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Numerics A B C D E F G H I J K L M N O P Q R S Symbols T U V W X Z




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