Patch 1.1.6
===========
The executable for version 1.1.5 was not compiled compatible to the
older Linux versions, fixed in this patch.
Patch 1.1.5
===========
For huge molecules (> 1000 atoms) FTreesXL had problems handling the
corresponding SMILES string which could lead to a crash. This is
fixed: although the molecule still has an entry in the table there
is no picture and no FTree etc. created for it.
Patch 1.1.4
===========
The molecule drawer in the table is now fixed so that it can handle
molecules with no atoms. Such molecules led to problems with
scrolling and screening.
Patch 1.1.3
===========
Fixed export of data to molecule file if there was no user selection
- when no molecules are selected, all are now exported
Patch 1.1.2
===========
Fixed writing of log files - the log files previously were sometimes
empty
Patch 1.1.1
===========
Renamed the license variable names in ftreesxl-settings file - now the
user can enter the FTREESXL and their own FTREES licenses separately.
Release 1.1.0
=============
The temporary directory can be changed by user:
- Parameter name TMP_DIRECTORY
- The initial value can be set in ftreesxl-settings and changed here
any time as a global setting
- The value can also be changed any time in Edit Preferences Miscellaneous.
This value will be saved in the users own preferences at Save.
Analog to TMP_DIRECTORY the user now has control over where the log
files are stored: LOG_DIRECTORY
The Import Molecules File Browser now closes after each click on 'Open'.
This means the user does not have to click the unintuitive 'Cancel'
button to close the dialog.
Improved molecule alignment window:
- The molecules are now aligned with each other according to the color-
coded mapping.
- The window now has a scrollbar lengthwise if the information about the
mapping is taller than the displayed area
Improved table handling:
- The molecule column in the table now stays scaled on resize (height
or width), the molecule visible at the top remains at the top after
resize
- The widths of the main columns Name, Mol, Smiles and Desc are remembered
- There is a 'Jump to' facility for jumping to certain lines
Start GUI with workset like this: FTreesXL -w workset.wst
Export molecules (molecule selection) with data:
- include any data column (including screening results) in the export
- the data is formatted according to the molecule file format:
- SD data field
- MOL2 TRIPOS comment field
- SMILES as comments after the molecule name
New licensing scheme, you will need to request a new license!
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