Dave's right about the font size: it's expressed in whatever coordinates
the molecule is being drawn in.
Cross-platform font handling is tough. Cross-platform, cross-toolkit font
handling is even tougher. What's currently there seems to be an
quasi-workable solution.
I suspect the other part of
Hi,
I have no idea how to run the function for hashedMorganfingenprint
(AllChem.GetHashedMorganFingerprint(ml, radius=2, nBits = 2048)) with RDKit
database cartridge. Thanks in advance.
Best,
Smith
Hi,
A (mostly complete) list of functions available in the cartridge is here:
http://rdkit.org/docs/Cartridge.html#functions
There isn't a particularly good match for GetHashedMorganFingerprint(),
which returns a count-based fingerprint of a particular length. The best
you can do is morgan_fp(),
Hi Paul, Hongbin Yang,
Thank you very much for helping me.
I think now it's becoming alright.
Best Regards,
Menaka
On 5 September 2016 at 22:41, Paul Emsley wrote:
> On 05/09/16 17:27, 杨弘宾 wrote:
>
> Hi, Menaka,
> An easy way I suggest is to install boost via
Hello,
When I try to build the above version of RDKit, I got the following error.
CMake Error at /usr/share/cmake-2.8/Modules/FindBoost.cmake:1131 (message):
Unable to find the requested Boost libraries.
Boost version: 1.55.0
Boost include path:
On 05/09/16 17:27, ??? wrote:
Hi, Menaka,
An easy way I suggest is to install boost via package manager, for
example:
$ sudo apt-get install
libboost-devlibboost-system-devlibboost-thread-devlibboost-serialization-devlibboost-python-devlibboost-regex-dev
and if you're on fedora you can
Hi, Menaka, An easy way I suggest is to install boost via package manager,
for example: $ sudo apt-get install libboost-dev libboost-system-dev
libboost-thread-dev libboost-serialization-dev libboost-python-dev
libboost-regex-dev When installing boost from source, remember to
Hi,
The above issue was fixed but it hangs when running 'make install'.
Nothing is printed and after some time machine freezes.
On 6 September 2016 at 00:11, Menaka Jayawardena
wrote:
> Hi Paul, Hongbin Yang,
>
> Thank you very much for helping me.
> I think now it's
HI Dmitri,
Sorry for the delay replying. I assume that by 'add padding' you mean that
the code that generates the 2D drawing coordinates should take account of
the size of the labels and would, from your example, maybe open out the
C9-O23-C14 bond a bit so that O21 and O24 are further apart? If
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