7.0.1 Feature List
11 Jan 2002
ChemFinder 7.0.1 is a bug-fix release following 7.0, with a small list of
changes. Most are minor, but one is not: the new "relative
tetrahedral stereochemistry" feature developed for Array Biopharma.
This feature involved some change in the user interface, some upheaval in the
substructure search engine, and a small modification to ChemDraw.
Changes in 7.0.1
- CSBR-27090: Relative Tetrahedral Stereochemistry
("RTS"). The attached document describes this feature
in detail. Testing suggestions: create the small database described
--- draw structures in ChemDraw, verify it works as described --- then
reproduce the grid of search results. Also dump the database to SDFile and reload it,
make sure the relative bonds survive intact.
- CSBR-27097: Scaling of ChemDraw structures. With this fix,
you can scale ChemDraw-style structures the same way you always could for
ChemFinder-style ones. Choose an option in Preferences > Display
> Structure Scaling: Fit to Box makes the structure as large
as possible within the form box, leaving a small margin on all sides. Uniform
Bond Length scales so that bond lengths are the same from one
structure to the next, where 100% gets you a bond around half an inch on the
display screen (see picture below). Note that the structure is never
allowed to extend beyond the bounds of the form box; if the current choice
causes the structure to be too large, the choice is disregarded and the
structure is scaled to fill the box.
Testing suggestions: see that structures scale the same way in both CD and
CF styles. Try printing. Note that scaling does not apply in
Scaling of ChemDraw-style pictures
- CSBR-26956: R-group table does not show up for some queries.
The problem was that the R-group generator was getting errors when
processing some queries and the user was not being informed. Now there
is an alert: "Sorry R-Group Analysis failed." To test, try a
search in Excel with a query having two bonds to a variable atom, being sure to
check the Show RGA box on the Filter Table dialog. The generator cannot
handle multi-coordinate variable atoms (A, R, X), so it should now complain
if you try one.
- CSBR-26896: Can’t setup portal database from ChemACX CD.
The problem was that the local (portal) db was getting set up correctly, but
the attached table was being opened for read-only, which led to the alert
"the database engine could not lock table ‘tmp_table’...".
We removed this read-only condition and the problem went away. At the
same time, we added a few lines of code to remember the search filter prior
to setting up the portal, and restoring it afterwards, so that any hitlist
in effect is not destroyed by the operation.
For more info about portal databases, see the CFW5 doc about Attach
Testing: open a read-only database such as ChemACX, do a search which gets a
small hitlist, then sort the list by formula or molweight. When the
operation is complete, you should be looking at the same hitlist, now sorted.
- CSBR-24228: Fix crash caused by zero-length bonds in CDX, which
many Merck files from loading. To test: see bug report to find
associated files, then use Import Structures to load a handful of
them. Some which used to crash now show up with an extraneous methane
molecule alongside the main structure (for example, 2431386.CDX).
- CSBR-27005: Create a framed databox on second tab and only frame shows up.
(Note: this duplicates deferred bug CSBR-25231). The problem was that
the box visibility flag was being checked before being set. To
test: on an empty form, create a tab, activate it, then draw a framed
- CSBR-26723: Saving form with static structure box does not save mol.
The problem was that structure display in a form box was tied to the
associated database field. Now, if there is no field (as in a static
box), display is done a different way. To test: create a box, set its
type to Structure but do not connect it to a database field; paste a
structure into the box, then save the form. On reopening the form, the
structure should be there.
- CSBR-26731: COMBI: experiment products sheet not correct --- extra, spurious “products” were created when a substrate contained deuterium.
To test: follow recipe in bug report.
- CSBR-26630: ChemFinder can’t open file by double-clicking.
Fixed by Julie's diligence and detective work. The problem was that a
check at startup for the ambient DAO version was taking too long, thus the
DDE generated by double-click was timing out. Fix was to put off this
check until actually needed. This bug was said to happen consistently
only on NT4. To test: double-click a CFW file on an NT4 system without
CFW already running, and make
sure it opens. Also worth confirming: plain ol' opening of forms
(both secure and not) connected to databases, just to make sure all is as