Re: [PyMOL] conversion of the small molecules from sdf to mol2

2022-01-14 Thread Chris Swain via PyMOL-users
Hi, You could try --append in openbabel to add the ID_STRUCTURE to the title of the molecule sdf? https://openbabel.org/docs/dev/Command-line_tools/babel.html#append-property-values-to-the-title

Re: [PyMOL] PyMOL for M1 macs

2021-12-05 Thread Chris Swain via PyMOL-users
;> >>  >> Hi Chris, >> >> We haven't released any official Incentive PyMOL builds yet for M1 ARM mac >> yet but it's on our radar to do so soon. >> >> Best, >> >> Jarrett J >> >> On Sun, Dec 5, 2021 at 2:09 PM C

[PyMOL] PyMOL for M1 macs

2021-12-05 Thread Chris Swain via PyMOL-users
Hi, Is there a build of PyMOL for M1 Macs yet? Cheers, Chris ___ PyMOL-users mailing list Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net Unsubscribe: https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe

[PyMOL] Pymol under El Capitan

2015-12-11 Thread Chris Swain
Hi, I maintain a list of science applications that work under El Capitan (http://www.macinchem.org/blog/files/c92b0faf48c1bb7dee5eeba1260cff43-1657.php) and I tried a pre installed version of Pymol and it worked without issue. However I have had a few readers email me saying they are having

Re: [PyMOL] Pymol under El Capitan

2015-12-11 Thread Chris Swain
ce/issues/2273> > > -David > > On Fri, Dec 11, 2015 at 3:39 AM, Chris Swain <sw...@mac.com > <mailto:sw...@mac.com>> wrote: > Hi, > > I maintain a list of science applications that work under El Capitan > (http://www.macinchem.org/blog/files/c92b0faf48c1bb7

Re: [PyMOL] [Apbs-users] Strange behaviour with APBS

2008-09-17 Thread Chris Swain
Hi, I noticed the latest version of the PDB file format description was posted today. http://www.wwpdb.org/docs.html Chris On 17 Sep 2008, at 20:21, DeLano Scientific wrote: The PyMOL and APBS programs have differing views as to whether PDB PQR files are column-based or