[Rdkit-discuss] Availability of new and updated command line scripts

2022-05-04 Thread Manish Sud
Hi All, I'll like to share with you the availability of the following new and updated command line scripts: o RDKitFilterTorsionStrainEnergyAlerts.py - New o RDKitFilterTorsionLibraryAlerts.py

Re: [Rdkit-discuss] Annotations get trimmed on molecule renderings

2022-05-04 Thread David Cosgrove
Hi Giammy, I’d be pretty disappointed if that happened in 2022.03.[12]. I don’t think there’s a fix for that in 2021.09. If it still happens in the latest version please file it as a bug and I’ll take a look at it. The molecule rendering was completely overhauled over the winter to try and

[Rdkit-discuss] Annotations get trimmed on molecule renderings

2022-05-04 Thread Gianmarco Ghiandoni
Hi all, I am using rdkit_pypi==2021.9.4 to generate visualisation of compounds with their atomic hydrogen bond strengths. In particular, I am using this function to produce an SVG string: d2d = rdMolDraw2D.MolDraw2DSVG(fig_size[0], fig_size[1]) d2d.drawOptions().annotationFontScale = 0.7