Re: [Rdkit-discuss] looking for suggestions: github vs bitbucket vs google code

Hi, As a switcher, I feel I should share my experience. I am never a power user of any VCS, but I've used RCS, CVS, Subversion, Mercurial and Git, and my level is always best characterized as barely enough to get work done. I chose Mercurial instead of Git during my first encounter with the co

Re: [Rdkit-discuss] Depicting R groups follow-up

On Fri, Feb 1, 2013 at 12:16 PM, JP wrote: > > > Thanks for the UpdatePropertyCache hint, I should know better after 2.5 > years of using this toolkit. > > Are you sure about the workaround you suggest above? > > m = Chem.MolFromSmiles('CCN') > for a in m.GetAtoms(): > a.SetProp("

Re: [Rdkit-discuss] looking for suggestions: github vs bitbucket vs google code

Seconding Markus - My biggest issue switching from svn to git was honestly the word "checkout". It means two different things between them, and I found myself doing stupid things all the time. Outside of that, and the weird "staging area" thing I never got a hold of but can be easily skipped, I did

Re: [Rdkit-discuss] looking for suggestions: github vs bitbucket vs google code

Oh man... If OB is doing it, then we have to do something different! ;-) On Feb 1, 2013, at 7:04 PM, Geoffrey Hutchison wrote: >> [1] I believe it should be possible to continue to keep the svn >> repository in sync with the git code base in the same way that the >> current github RDKit version

Re: [Rdkit-discuss] looking for suggestions: github vs bitbucket vs google code

> [1] I believe it should be possible to continue to keep the svn > repository in sync with the git code base in the same way that the > current github RDKit version is kept in sync with the sf.net svn repo. My $0.02 on this -- since I’m migrating Open Babel from SVN at sf.net to GitHub. GitHub o

Re: [Rdkit-discuss] looking for suggestions: github vs bitbucket vs google code

I started with CVS, switch to svn, tried to learn git which made my head explode. However, for some odd reasons I didn't gave up on git, and one day it make click. Since then I switched everything to git and never looked back. I agree, when you come from CVS and svn, git changes your way of thinkin

Re: [Rdkit-discuss] looking for suggestions: github vs bitbucket vs google code

Hi, I'm also using Mercurial (Hg) & BitBucket for private projects and also follow some public ones. Git & Hg are similar, they are both dvcs and they are highly adopted by the open source community. My vote though goes to Bitbucket and Hg. Regards, Christos Sent from my Galaxy Note! On Feb 1

Re: [Rdkit-discuss] looking for suggestions: github vs bitbucket vs google code

DVCS is definitely the way to go I think because it makes it much easier to contribute code, and pull requests are particularly well implemented in github/bitbucket. Mercurial is more intuitive in my opinion but git is not that bad once you are familiar with the different git workflows and git conc

Re: [Rdkit-discuss] looking for suggestions: github vs bitbucket vs google code

Hi, I am pretty new to RDKit and so far so good, it works quite well - thanks to Greg and to the community for the great work! As far as DVCS, I personally use Mercurial. It works fine for me, although I have to admit I use it pretty much in an SVN-like style just with an additional local repo

Re: [Rdkit-discuss] looking for suggestions: github vs bitbucket vs google code

You ask an excellent question. I will provide my two cents, from the context of someone who has been saying "DVCS solves a problem I don't have" for a couple years now. There is definitely a big learning curve for those of us who have been using cvs/svn for years (I think it may be more difficu

Re: [Rdkit-discuss] looking for suggestions: github vs bitbucket vs google code

Github has a lot more features than its competitors, and they're growing rapidly. To help, look at a big project that's already using it (like three.js) to try to e

Re: [Rdkit-discuss] looking for suggestions: github vs bitbucket vs google code

Rant I tried working with git naively thinking I'll figure it out on the go (after long working with CVS and SVN). Nothing doing. Then I found a few tutorials. The description of detached heads and other arcana made my brain explode. Why does version control need to be so complex? Do we really nee

Re: [Rdkit-discuss] Depicting R groups follow-up

On 1 February 2013 04:04, Greg Landrum wrote: > Short answer: it's a bug. I will fix it, but in the meantime you can > work around it by passing the "kekulize=False" argument to the drawing > function (you should probably kekulize the molecule yourself first if > you want to see single and double

Re: [Rdkit-discuss] Depicting R groups follow-up

On Fri, Feb 1, 2013 at 11:11 AM, JP wrote: > I try setting the "kekulize=False" argument in this way: > > print Chem.MolToSmiles(core) > core.Debug() > # need kekulization before passing this to the drawing algorithm > Chem.Kekulize(core) > for r_id in rGroups.keys(): # rGoups is just a list of a

Re: [Rdkit-discuss] looking for suggestions: github vs bitbucket vs google code

Hi Greg, I use mercurial and bitbucket as you may know, hg because I prefer its workflow compared to git and bitbucket because of the unlimited private repositories (and I have quite a few). I would suggest github as host if you choose git - it has the most features of all websites in my opinion.

Re: [Rdkit-discuss] looking for suggestions: github vs bitbucket vs google code

Hi Greg, I am using bitbucket for my personal projects and it is doing this perfectly fine. However, i keep these private so i have no experience with the public interface. Cheers, Hans On 01 Feb 2013, at 09:54, Greg Landrum wrote: > I think it's time to move the primary RDKit codebase from

Re: [Rdkit-discuss] Depicting R groups follow-up

I try setting the "kekulize=False" argument in this way: print Chem.MolToSmiles(core) core.Debug() # need kekulization before passing this to the drawing algorithm Chem.Kekulize(core) for r_id in rGroups.keys(): # rGoups is just a list of a few atoms indices I want to label core.GetAtomWithI

[Rdkit-discuss] looking for suggestions: github vs bitbucket vs google code

I think it's time to move the primary RDKit codebase from svn to a distributed version control system.[1] This change is intended to make it a lot easier for others to work with/contribute to the RDKit. It seems like git is winning/has won the argument about which DVCS is the one to use, so that p