Re: [Rdkit-discuss] Bond tags in SVGs

2019-03-13 Thread Greg Landrum
>> >> >> >> *From: *Greg Landrum >> *Date: *Tuesday, 5 February 2019 at 14:45 >> *To: *Lukas Pravda >> *Cc: *RDKIT mailing list >> *Subject: *Re: [Rdkit-discuss] Bond tags in SVGs >> >> >> >> Sure. I don't have my Mac with me,

Re: [Rdkit-discuss] Bond tags in SVGs

2019-03-12 Thread Greg Landrum
To: *Lukas Pravda > *Cc: *RDKIT mailing list > *Subject: *Re: [Rdkit-discuss] Bond tags in SVGs > > > > Sure. I don't have my Mac with me, so that'll need to wait until I'm back > in Basel on the weekend. > > > > -greg > > > > > > > > On Tue

Re: [Rdkit-discuss] Bond tags in SVGs

2019-03-12 Thread Lukas Pravda
: RDKIT mailing list Subject: Re: [Rdkit-discuss] Bond tags in SVGs Sure. I don't have my Mac with me, so that'll need to wait until I'm back in Basel on the weekend. -greg On Tue, Feb 5, 2019 at 2:39 PM Lukas Pravda wrote: If it is not too much trouble to ask, please build

Re: [Rdkit-discuss] Bond tags in SVGs

2019-02-05 Thread Peter St. John
3.6.x. >> >> >> >> Thanks! >> >> Lukas >> >> >> >> *From: *Greg Landrum >> *Date: *Tuesday, 5 February 2019 at 13:40 >> *To: *Lukas Pravda >> *Cc: *RDKIT mailing list >> *Subject: *Re: [Rdkit-discuss] Bond tags

Re: [Rdkit-discuss] Bond tags in SVGs

2019-02-05 Thread Greg Landrum
> Lukas > > > > *From: *Greg Landrum > *Date: *Tuesday, 5 February 2019 at 13:40 > *To: *Lukas Pravda > *Cc: *RDKIT mailing list > *Subject: *Re: [Rdkit-discuss] Bond tags in SVGs > > > > > > > > On Tue, Feb 5, 2019 at 12:23 PM Lukas Pravda wrote

Re: [Rdkit-discuss] Bond tags in SVGs

2019-02-05 Thread Lukas Pravda
If it is not too much trouble to ask, please build it for mac os (10.14.3) python 3.6.x. Thanks! Lukas From: Greg Landrum Date: Tuesday, 5 February 2019 at 13:40 To: Lukas Pravda Cc: RDKIT mailing list Subject: Re: [Rdkit-discuss] Bond tags in SVGs On Tue, Feb 5, 2019 at 12

Re: [Rdkit-discuss] Bond tags in SVGs

2019-02-05 Thread Greg Landrum
t think differently. > Excellent! -greg > > > Best, > > Lukas > > *From: *Greg Landrum > *Date: *Sunday, 3 February 2019 at 17:49 > *To: *Lukas Pravda > *Cc: *RDKIT mailing list > *Subject: *Re: [Rdkit-discuss] Bond tags in SVGs > > > > Hi Lukas,

Re: [Rdkit-discuss] Bond tags in SVGs

2019-02-05 Thread Lukas Pravda
at 17:49 To: Lukas Pravda Cc: RDKIT mailing list Subject: Re: [Rdkit-discuss] Bond tags in SVGs Hi Lukas, I had a chance to do a bit of work on this recently and I'd be interested to hear your feedback. Bonds are now tagged with their bond IDs (using classes) and the "Tag

Re: [Rdkit-discuss] Bond tags in SVGs

2019-02-02 Thread Greg Landrum
> At this point my only idea is to color bonds individually and based on the > overlay/proximity use kd-tree to reverse-engineer which bonds the paths > belong to, which is a bit overkill in my view. > > > > Lukas > > > > > > *From: *Greg Landrum > *Date: *Tuesday, 4 Dec

Re: [Rdkit-discuss] Bond tags in SVGs

2018-12-04 Thread Lukas Pravda
: Greg Landrum Date: Tuesday, 4 December 2018 at 17:24 To: Lukas Pravda Cc: RDKIT mailing list Subject: Re: [Rdkit-discuss] Bond tags in SVGs Hi Lukas, There's not currently a way to do this at the moment. The closest you can get is by calling AddMoleculeMetadata(): In [6]: d

Re: [Rdkit-discuss] Bond tags in SVGs

2018-12-04 Thread Greg Landrum
Hi Lukas, There's not currently a way to do this at the moment. The closest you can get is by calling AddMoleculeMetadata(): In [6]: d = Draw.MolDraw2DSVG(200,200) In [8]: d.DrawMolecule(nm) In [10]: d.AddMoleculeMetadata(nm) In [11]: d.FinishDrawing() In [12]: svg = d.GetDrawingText() In