From yuan ^at^ nka1.med.uc.edu Mon Dec 5 12:19:35 1994 Received: from nka1.med.uc.edu for yuan %-% at %-% nka1.med.uc.edu by www.ccl.net (8.6.9/930601.1506) id LAA13062; Mon, 5 Dec 1994 11:20:42 -0500 Received: by nka1.med.uc.edu (920330.SGI/921111.SGI.AUTO) for chemistry:~at~:ccl.net id AA16771; Mon, 5 Dec 94 11:20:42 -0500 Date: Mon, 5 Dec 1994 11:20:35 -0500 (EST) From: Jie Yuan To: Computational Chemistry List Subject: PDB search for Na or K ion containing molecules Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hi CCLers: How can I search PDB or other data bases for molecules that contain certain metal ions (Na, K, Ca, etc.)? I have tried the Molecule R Us at NIH's WWW site, but could not get any hit. There is no way of searching the data files beyond the bibliographic header. Metal ions are heteroatoms. They are usually not mentioned in the header. It seems that the only way to search them is to scan the full files. We have the PDB CDROM so that a grep search on the files is possible. But I wish there are better ways and be able to access more databases. Thanks a lot for your attention! Jie -- Jie Yuan -- Pharmacology & Cell Biophysics -- U. Cincinnati -- == Phone: 513-558-2352 == Fax: x-1169 == Email: jie.yuan&$at$&uc.edu == == Mail: ML 0575, 231 Bethesda Ave., Cincinnati, OH 45267-0575 ==