Maestro User Manual
Schrödinger Software Release 2015-2
Yüklə 8,42 Mb. Pdf görüntüsü
|
- Bu səhifədəki naviqasiya:
- Schrödinger Software Release 2015-2 450 Index
Schrödinger Software Release 2015-2 450 Index element
changing ..................................................... 95 finding......................................................... 37 entries.................................................................. 6 adding properties to .................................. 228 combining ................................................. 206 copying and pasting properties ................. 206 copying properties .................................... 233 creating ............................................... 29 , 179 deleting ..................................................... 209
displaying in Workspace........................... 203
duplicating ................................................ 205
excluding .................................................. 203
excluding, using plots ............................... 292
filtering ............................................. 197
– 200
fixing and unfixing ................................... 203
groups ....................... 179
, 189
, 191
, 194
, 208
importing .................................................. 179
including ................................................... 203
including, using plots ............................... 292
incorporating from job output .................. 180
marking..................................................... 220
merging............................................. 180
, 206
merging on connection or fusion ................ 98 moving ...................................................... 210 properties .......................................... 226 –
renaming ................................................... 204
selecting............................................ 197
– 202
selecting from plots .................................. 291
selecting randomly ................................... 201
sorting ............................................... 185
, 211
splitting by molecule ................................ 207
stepping through in Workspace ................ 203
superimposing .......................................... 254
target ................................................. 184
, 358
tiling............................................................ 70
entry groups—see groups, entry entry ID ........................................................... 179 Entry List panel............................................... 225 Entry Selection dialog box.............................. 198 Entry Selection Language (ESL) .................... 198 environment variables BABEL_DIR ................................................. 45 DISPLAY
..................................................... 12 LOCALAPPDATA (Windows) ..................... 337
SCHRODINGER ............................................ 12 SCHRODINGER_SCRIPTS ................. 333
, 387
SCHRODINGER_TEMP_PROJECT ............. 337 ePlayer .................................................... 216 – 219 reference structure .................................... 219
speed......................................................... 219
toolbar controls......................................... 217
ePlayer Options panel ..................................... 218
error reporting, in PDB conversion................... 51 ESL—see Entry Selection Language (ESL) excluded entries .............................................. 184
exponential notation........................................ 236
Export dialog box ............................................. 52 Export to Canvas dialog box............................. 61 Extended Radius Surface panel ...................... 300 extended radius surfaces—see surfaces F family—see property family feedback atom properties ................................... 24 ,
entry properties................................. 171
, 358
from picking ............................................. 348
Workspace contents .................................... 23 Feedback button .............................................. 171 file extensions, preferences for ....................... 337 file format export, selecting.......................................... 53 import, selecting ......................................... 43 Maestro, description ................................. 417 Maestro, example ..................................... 419 recognized .................................................. 45 files
exporting data to ......................................... 57 importing data from.................................... 58 importing structures from......................... 179 overwriting ................................................. 54 selecting for import .................................... 43 writing structures to.................................... 52 filters, entry ..................................................... 198 Find toolbar main window .............................................. 36 Project Table panel ................................... 196 finding atoms .................................................... 36 fixed entries..................................................... 184 Flexible Ligand Alignment panel ................... 258 fog ..................................................................... 77 Yüklə 8,42 Mb. Dostları ilə paylaş:
|