Re: [Rdkit-discuss] RDKit-Py3DMol integration
Dear Peter, Thank you very much again. Have a great day! Sincerely -Malitha On May 10, 2017 4:55 AM, "Peter S. Shenkin" wrote: > Hi, Malitha, > > I was trying to make a bit of joke, but of course the Welcome was sincere. > ;-) > > Best, > -P. > > On Tue, May 9, 2017 at 6:52 PM, Malitha Kabir > wrote: > >> Notes to Peter, >> Dear sir, >> Thank you very much for your time on writing an excellent welcome note >> together with advice. I will definity work on anything that our community >> wants me to accomplish. Being very realistic, all my targets are now set by >> Paul and Gerg. My commitment here is to keep participating in RDKit and >> 3Dmol.js after reaching the initial targets. Thanks much again. >> >> Notes to Paul: >> Dear sir, >> I am more than grateful to you for introducing me in RDKit community. You >> are the motivation why I'm here right now. I will put my best effort >> definitely. Thank you very much for all your worries. >> >> Notes to Gerg: >> Dear sir, >> Thank you very much for your time in mentoring me and also for putting >> such useful tool for community use that comes totally free of cost. I will >> keep working in RDKit development if my skills remain as per requirements. >> Thank you very much again for reviewing proposal and future help as well. >> >> Notes to David Koes: >> Dear sir, >> I will come up with specific questions very soon (within one or two >> weeks). I wish you don't mind getting my touch. Thanks much in advance for >> your kind help. >> >> Sincerely, >> -Malitha >> >> >> >> On May 10, 2017 1:59 AM, "Peter S. Shenkin" wrote: >> >>> Welcome Malitha! The community expects you to fix everything that's >>> broken ;-) >>> >>> (After all, you have the whole summer to do it) >>> >>> Cheers, >>> -P. >>> >>> On Tue, May 9, 2017 at 1:06 PM, Paul Czodrowski < >>> paul.czodrow...@merckgroup.com> wrote: >>> Dear RDkitters, This is to inform you exciting community Malitha Kabir who will working as a GoogeSummerOfCode (GSoC) student over the next couple couple of weeks on the RDKit-Py3DMol integration. Let’s give Malitha a warm welcome (and comprehensive replies during his GSoC project)! On behalf of the mentors: Greg & Paul This message and any attachment are confidential and may be privileged or otherwise protected from disclosure. If you are not the intended recipient, you must not copy this message or attachment or disclose the contents to any other person. If you have received this transmission in error, please notify the sender immediately and delete the message and any attachment from your system. Merck KGaA, Darmstadt, Germany and any of its subsidiaries do not accept liability for any omissions or errors in this message which may arise as a result of E-Mail-transmission or for damages resulting from any unauthorized changes of the content of this message and any attachment thereto. Merck KGaA, Darmstadt, Germany and any of its subsidiaries do not guarantee that this message is free of viruses and does not accept liability for any damages caused by any virus transmitted therewith. Click http://www.merckgroup.com/disclaimer to access the German, French, Spanish and Portuguese versions of this disclaimer. -- Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >>> >>> >>> -- >>> Check out the vibrant tech community on one of the world's most >>> engaging tech sites, Slashdot.org! http://sdm.link/slashdot >>> ___ >>> Rdkit-discuss mailing list >>> Rdkit-discuss@lists.sourceforge.net >>> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >>> >>> > -- Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] RDKit-Py3DMol integration
Hi, Malitha, I was trying to make a bit of joke, but of course the Welcome was sincere. ;-) Best, -P. On Tue, May 9, 2017 at 6:52 PM, Malitha Kabir wrote: > Notes to Peter, > Dear sir, > Thank you very much for your time on writing an excellent welcome note > together with advice. I will definity work on anything that our community > wants me to accomplish. Being very realistic, all my targets are now set by > Paul and Gerg. My commitment here is to keep participating in RDKit and > 3Dmol.js after reaching the initial targets. Thanks much again. > > Notes to Paul: > Dear sir, > I am more than grateful to you for introducing me in RDKit community. You > are the motivation why I'm here right now. I will put my best effort > definitely. Thank you very much for all your worries. > > Notes to Gerg: > Dear sir, > Thank you very much for your time in mentoring me and also for putting > such useful tool for community use that comes totally free of cost. I will > keep working in RDKit development if my skills remain as per requirements. > Thank you very much again for reviewing proposal and future help as well. > > Notes to David Koes: > Dear sir, > I will come up with specific questions very soon (within one or two > weeks). I wish you don't mind getting my touch. Thanks much in advance for > your kind help. > > Sincerely, > -Malitha > > > > On May 10, 2017 1:59 AM, "Peter S. Shenkin" wrote: > >> Welcome Malitha! The community expects you to fix everything that's >> broken ;-) >> >> (After all, you have the whole summer to do it) >> >> Cheers, >> -P. >> >> On Tue, May 9, 2017 at 1:06 PM, Paul Czodrowski < >> paul.czodrow...@merckgroup.com> wrote: >> >>> Dear RDkitters, >>> >>> >>> >>> This is to inform you exciting community Malitha Kabir who will working >>> as a GoogeSummerOfCode (GSoC) student over the next couple couple of weeks >>> on the RDKit-Py3DMol integration. >>> >>> >>> >>> Let’s give Malitha a warm welcome (and comprehensive replies during his >>> GSoC project)! >>> >>> >>> >>> On behalf of the mentors: Greg & Paul >>> >>> >>> >>> >>> >>> This message and any attachment are confidential and may be privileged >>> or otherwise protected from disclosure. If you are not the intended >>> recipient, you must not copy this message or attachment or disclose the >>> contents to any other person. If you have received this transmission in >>> error, please notify the sender immediately and delete the message and any >>> attachment from your system. Merck KGaA, Darmstadt, Germany and any of its >>> subsidiaries do not accept liability for any omissions or errors in this >>> message which may arise as a result of E-Mail-transmission or for damages >>> resulting from any unauthorized changes of the content of this message and >>> any attachment thereto. Merck KGaA, Darmstadt, Germany and any of its >>> subsidiaries do not guarantee that this message is free of viruses and does >>> not accept liability for any damages caused by any virus transmitted >>> therewith. >>> >>> >>> >>> Click http://www.merckgroup.com/disclaimer to access the German, >>> French, Spanish and Portuguese versions of this disclaimer. >>> >>> >>> -- >>> Check out the vibrant tech community on one of the world's most >>> engaging tech sites, Slashdot.org! http://sdm.link/slashdot >>> ___ >>> Rdkit-discuss mailing list >>> Rdkit-discuss@lists.sourceforge.net >>> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >>> >>> >> >> >> -- >> Check out the vibrant tech community on one of the world's most >> engaging tech sites, Slashdot.org! http://sdm.link/slashdot >> ___ >> Rdkit-discuss mailing list >> Rdkit-discuss@lists.sourceforge.net >> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >> >> -- Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] RDKit-Py3DMol integration
Notes to Peter, Dear sir, Thank you very much for your time on writing an excellent welcome note together with advice. I will definity work on anything that our community wants me to accomplish. Being very realistic, all my targets are now set by Paul and Gerg. My commitment here is to keep participating in RDKit and 3Dmol.js after reaching the initial targets. Thanks much again. Notes to Paul: Dear sir, I am more than grateful to you for introducing me in RDKit community. You are the motivation why I'm here right now. I will put my best effort definitely. Thank you very much for all your worries. Notes to Gerg: Dear sir, Thank you very much for your time in mentoring me and also for putting such useful tool for community use that comes totally free of cost. I will keep working in RDKit development if my skills remain as per requirements. Thank you very much again for reviewing proposal and future help as well. Notes to David Koes: Dear sir, I will come up with specific questions very soon (within one or two weeks). I wish you don't mind getting my touch. Thanks much in advance for your kind help. Sincerely, -Malitha On May 10, 2017 1:59 AM, "Peter S. Shenkin" wrote: > Welcome Malitha! The community expects you to fix everything that's > broken ;-) > > (After all, you have the whole summer to do it) > > Cheers, > -P. > > On Tue, May 9, 2017 at 1:06 PM, Paul Czodrowski < > paul.czodrow...@merckgroup.com> wrote: > >> Dear RDkitters, >> >> >> >> This is to inform you exciting community Malitha Kabir who will working >> as a GoogeSummerOfCode (GSoC) student over the next couple couple of weeks >> on the RDKit-Py3DMol integration. >> >> >> >> Let’s give Malitha a warm welcome (and comprehensive replies during his >> GSoC project)! >> >> >> >> On behalf of the mentors: Greg & Paul >> >> >> >> >> >> This message and any attachment are confidential and may be privileged or >> otherwise protected from disclosure. If you are not the intended recipient, >> you must not copy this message or attachment or disclose the contents to >> any other person. If you have received this transmission in error, please >> notify the sender immediately and delete the message and any attachment >> from your system. Merck KGaA, Darmstadt, Germany and any of its >> subsidiaries do not accept liability for any omissions or errors in this >> message which may arise as a result of E-Mail-transmission or for damages >> resulting from any unauthorized changes of the content of this message and >> any attachment thereto. Merck KGaA, Darmstadt, Germany and any of its >> subsidiaries do not guarantee that this message is free of viruses and does >> not accept liability for any damages caused by any virus transmitted >> therewith. >> >> >> >> Click http://www.merckgroup.com/disclaimer to access the German, French, >> Spanish and Portuguese versions of this disclaimer. >> >> >> -- >> Check out the vibrant tech community on one of the world's most >> engaging tech sites, Slashdot.org! http://sdm.link/slashdot >> ___ >> Rdkit-discuss mailing list >> Rdkit-discuss@lists.sourceforge.net >> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >> >> > > > -- > Check out the vibrant tech community on one of the world's most > engaging tech sites, Slashdot.org! http://sdm.link/slashdot > ___ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss > > -- Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] RDKit-Py3DMol integration
Welcome Malitha! The community expects you to fix everything that's broken ;-) (After all, you have the whole summer to do it) Cheers, -P. On Tue, May 9, 2017 at 1:06 PM, Paul Czodrowski < paul.czodrow...@merckgroup.com> wrote: > Dear RDkitters, > > > > This is to inform you exciting community Malitha Kabir who will working as > a GoogeSummerOfCode (GSoC) student over the next couple couple of weeks on > the RDKit-Py3DMol integration. > > > > Let’s give Malitha a warm welcome (and comprehensive replies during his > GSoC project)! > > > > On behalf of the mentors: Greg & Paul > > > > > > This message and any attachment are confidential and may be privileged or > otherwise protected from disclosure. If you are not the intended recipient, > you must not copy this message or attachment or disclose the contents to > any other person. If you have received this transmission in error, please > notify the sender immediately and delete the message and any attachment > from your system. Merck KGaA, Darmstadt, Germany and any of its > subsidiaries do not accept liability for any omissions or errors in this > message which may arise as a result of E-Mail-transmission or for damages > resulting from any unauthorized changes of the content of this message and > any attachment thereto. Merck KGaA, Darmstadt, Germany and any of its > subsidiaries do not guarantee that this message is free of viruses and does > not accept liability for any damages caused by any virus transmitted > therewith. > > > > Click http://www.merckgroup.com/disclaimer to access the German, French, > Spanish and Portuguese versions of this disclaimer. > > > -- > Check out the vibrant tech community on one of the world's most > engaging tech sites, Slashdot.org! http://sdm.link/slashdot > ___ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss > > -- Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
[Rdkit-discuss] RDKit-Py3DMol integration
Dear RDkitters, This is to inform you exciting community Malitha Kabir who will working as a GoogeSummerOfCode (GSoC) student over the next couple couple of weeks on the RDKit-Py3DMol integration. Let's give Malitha a warm welcome (and comprehensive replies during his GSoC project)! On behalf of the mentors: Greg & Paul This message and any attachment are confidential and may be privileged or otherwise protected from disclosure. If you are not the intended recipient, you must not copy this message or attachment or disclose the contents to any other person. If you have received this transmission in error, please notify the sender immediately and delete the message and any attachment from your system. Merck KGaA, Darmstadt, Germany and any of its subsidiaries do not accept liability for any omissions or errors in this message which may arise as a result of E-Mail-transmission or for damages resulting from any unauthorized changes of the content of this message and any attachment thereto. Merck KGaA, Darmstadt, Germany and any of its subsidiaries do not guarantee that this message is free of viruses and does not accept liability for any damages caused by any virus transmitted therewith. Click http://www.merckgroup.com/disclaimer to access the German, French, Spanish and Portuguese versions of this disclaimer. -- Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] Which package should be used to improve the drawing quality in win64
Yes, thank you, Paul. Surprisingly I find that pycairo is still "alive" :) . Someone maintains the project (https://pycairo.readthedocs.io/en/latest/index.html ) and finally I install it via anaconda's pypi (https://anaconda.org/RMG/pycairo ). It seems that few people are using it... I tried installing cairocffi but nothing worked. Then I installed pycairo and really, it can anti-aliasing. Hongbin Yang From: Paul EmsleyDate: 2017-05-09 19:05To: rdkit-discussSubject: Re: [Rdkit-discuss] Which package should be used to improve the drawing quality in win64On 09/05/2017 05:27, Hongbin Yang wrote: > Hi, all, > > By default, rdkit uses pillow to render images when using >rdkit.Chem.DrawMolecule. But > the quality is not good enough, like this: The effect you discuss is called aliasing. You want anti-aliasing. > If memory does not fail me, pycairo can solve this problem. I imagine that it's cairo that actually does the drawing (draws the pixels) and pycairo is a wrapper on top of this. HTH, Paul. -- Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss -- Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] Which package should be used to improve the drawing quality in win64
On 09/05/2017 05:27, Hongbin Yang wrote: > Hi, all, > > By default, rdkit uses pillow to render images when using > rdkit.Chem.DrawMolecule. But > the quality is not good enough, like this: The effect you discuss is called aliasing. You want anti-aliasing. > If memory does not fail me, pycairo can solve this problem. I imagine that it's cairo that actually does the drawing (draws the pixels) and pycairo is a wrapper on top of this. HTH, Paul. -- Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
