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ChemOffice.Com - CambridgeSoft

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as a doubly drawn pair, the combined valence<br />

of explicit bonds must not exceed the capacity<br />

of either atom.) You get this sort of structure<br />

when attempting to draw a bond from an<br />

existing atom, but miss and accidentally create<br />

a new atom. ChemDraw flags these cases with<br />

a wavy red box.<br />

• 3D not scaled in Angstroms—<br />

Flags structures with Z coordinates not scaled<br />

in Angstroms. Such structures will not be<br />

struck in a 3D search.<br />

• Outdated representation—As the MST<br />

database format evolves, it becomes<br />

problematic to correlate old stored information<br />

with the current live data structures. Moreover,<br />

bugs affecting stored data (e.g., molecular<br />

weights) get fixed, making the stored data<br />

become gradually less effective for searching.<br />

The best solution is to upgrade databases<br />

periodically. This menu option lets you locate<br />

and repair faulty data in an older database<br />

without upgrading the database.<br />

• Miscellaneous—Presently, this checks one<br />

thing: that isotopic masses seem reasonable.<br />

if you want to...<br />

rewrite the MST record,<br />

thus correcting the<br />

problem.<br />

The Register (and like<br />

buttons) will not appear if<br />

the database is read-only or<br />

if re-registering would not<br />

correct the problem.<br />

re-register other records<br />

that exhibit the same type<br />

of error automatically.<br />

suppress all alerts and reregister<br />

all records that<br />

may benefit from it.<br />

leave the current record as<br />

is (uncorrected) and<br />

continue the scan from the<br />

next record.<br />

then click...<br />

Reregister<br />

Rereg. Sim. Recs.<br />

(Re-register Similar<br />

Records)<br />

Reregister All<br />

Skip to Next<br />

Record<br />

ChemFinder<br />

To perform a With Errors search:<br />

1. Select the categories of interest.<br />

2. Click the Scan button.<br />

When a structure is flagged, its record is<br />

displayed, the offending atom or bond (if any)<br />

is “flashed” and an alert offers the user several<br />

choices.<br />

The options are:<br />

if you want to...<br />

ignore the error and<br />

continue checking the<br />

same structure.<br />

then click...<br />

Continue<br />

stop the scan.<br />

This leaves you on the last<br />

record that exhibited a<br />

problem<br />

“flash” the problematic<br />

atom or bond.<br />

This button only appears<br />

when the error revolves<br />

around an atom or bond.<br />

Clicking the button creates<br />

a circle that moves toward<br />

the atom/bond, drawing<br />

the eye to it.<br />

Stop Scanning<br />

Flash<br />

<strong>ChemOffice</strong> 2005/ChemFinder Searching • 333<br />

Special Structure Searches

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