From chemistry-request@www.ccl.net Fri Apr 2 02:48:31 1999 From: Steven.Creve@dsm-group.com Date: Fri, 2 Apr 1999 09:47:19 +0200 Subject: CCL:DMOL:COSMO TO: CHEMISTRY@www.ccl.net Hi, does anyone out there know how to use the CRS_INPUT file with the Cerius2 3.8 implementation of DMol3/COSMO-RS? Steven From chemistry-request@www.ccl.net Fri Apr 2 11:42:57 1999 From: John.Manchester@camitro.com Message-ID: <001401be7d26$10120c00$320b29d8@camitro.com> Reply-To: To: Subject: Java code for standard orientation transformation? Date: Fri, 2 Apr 1999 11:29:50 -0500 Organization: Camitro Corporation MIME-Version: 1.0 Content-Type: multipart/alternative; boundary="----=_NextPart_000_0011_01BE7CFC.1F3F5680" X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 5.00.2014.211 X-MimeOLE: Produced By Microsoft MimeOLE V5.00.2014.211 This is a multi-part message in MIME format. ------=_NextPart_000_0011_01BE7CFC.1F3F5680 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable So does anybody know of (or have) some Java code for transforming = molecules to the standard orientation? Thanks in advance, John =3D-=3D-=3D-=3D-=3D-=3D-=3D-=3D-=3D-=3D-=3D-=3D-=3D-=3D-=3D-=3D-=3D-=3D-=3D= John Manchester Camitro Corporation 1-877-CAMITRO fax: (781) 453-1988 John.Manchester@camitro.com ------=_NextPart_000_0011_01BE7CFC.1F3F5680 Content-Type: text/html; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable

So does anybody know of (or have) some Java code for transforming = molecules=20 to the standard orientation?

Thanks in advance,

John

=3D-=3D-=3D-=3D-=3D-=3D-=3D-=3D-=3D-=3D-=3D-=3D-=3D-=3D-=3D-=3D-=3D-= =3D-=3D
John Manchester
Camitro=20 Corporation
1-877-CAMITRO
fax: (781) 453-1988
John.Manchester@camitro.com

------=_NextPart_000_0011_01BE7CFC.1F3F5680-- From chemistry-request@www.ccl.net Sun Apr 4 22:14:47 1999 Received: from csb0.IPC.PKU.EDU.CN (csb0.ipc.pku.edu.cn [162.105.177.12]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with SMTP id WAA17410 Sun, 4 Apr 1999 22:14:44 -0400 (EDT) Received: by csb0.IPC.PKU.EDU.CN (920330.SGI/940406.SGI.AUTO) for chemistry@www.ccl.net id AA18230; Mon, 5 Apr 99 11:13:28 -0700 Date: Mon, 5 Apr 1999 11:13:27 -0700 (PDT) From: Liang Shide To: chemistry@www.ccl.net Subject: for help Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear everyone, Can anyone do me a favour to tell me where can I get the program to calculate the shape complemetarity or packing density at protein/protein interaface? Thank you very much. ---------------------------------------- Liang Shide Room 3058,Building 48 Peking University Beijing, 100871 P.R.China Phone: 86-10-62751490 Fax: 86-10-62751725 E-mail: liangsd@csb0.ipc.pku.edu.cn -----------------------------------------